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1.
(
Organism ID:
14611)
Actaea
simplex
(
NCBI TaxID 64042
,
species name lookup
)
Taxonomic group:
plant
Phylum:
Streptophyta
The following compound(s) are assigned to this organism:
Compound ID:
26801
b-D-Xylp-(1-3)-Subst Subst = 20R,24R-24,25-epoxy-3β,11β-dihydroxy-9,19-cyclolanost-7-en-16,23-dione = SMILES C[C@@H]([C@H]1C(C[C@]2(C)[C@]1(C)C{11}[C@H](O)[C@]34C2=CC[C@@H]5[C@@]3(CC{3}[C@H](O)C5(C)C)C4)=O)CC([C@H]6C(C)(C)O6)=O
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Structure type:
monomer ; 639 [M+Na]+
C35H52O9
Trivial name:
cimicifugoside H-1
Compound class:
saponin glycoside
Reference(s) to other database(s):
CCSD:
42546
, CBank-STR:870
Chemical and Pharmaceutical Bulletin
1995, "Studies on the Chinese crude drug ''Shoma'' IX. Three novel cyclolanostanol xylosides, cimicifugosides H-1, H-2 and H-5, from Cimicifuga rhizome"
CSDB ID 120608
(all data & tools)
Compound ID:
26802
b-D-Xylp-(1-3)-Subst Subst = 20R,24R-3β,11β,24,25-tetrahydroxy-9,19-cyclolanost-7-en-16,23-dione = SMILES C[C@H](CC({24}[C@H](O){25}C(C)(C)O)=O)[C@H]1C(C[C@@]2([C@@]1(C{11}[C@@H]([C@]34C2=CC[C@@H]5[C@]3(C4)CC{3}[C@@H](C5(C)C)O)O)C)C)=O
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Structure type:
monomer ; 635 [M+H]+
C35H55O10
Trivial name:
cimicifugoside H-2
Compound class:
saponin glycoside
Reference(s) to other database(s):
CCSD:
42547
, CBank-STR:875
Chemical and Pharmaceutical Bulletin
1995, "Studies on the Chinese crude drug ''Shoma'' IX. Three novel cyclolanostanol xylosides, cimicifugosides H-1, H-2 and H-5, from Cimicifuga rhizome"
CSDB ID 120609
(all data & tools)
Compound ID:
26803
b-D-Xylp-(1-3)-Subst Subst = 20R,24R-24,25-epoxy-3β,11β,15-trihydroxy-9,19-cyclolanost-7-en-16,23-dione = SMILES C[C@H](CC([C@H](O1)C1(C)C)=O)[C@H]2C({15}C(O)[C@@]3([C@@]2(C{11}[C@@H]([C@]45C3=CC[C@@H]6[C@]4(C5)CC{3}[C@@H](C6(C)C)O)O)C)C)=O
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Structure type:
monomer ; 655 [M+Na]+
C35H52O10
Trivial name:
cimicifugoside H-5
Compound class:
saponin glycoside
Reference(s) to other database(s):
CCSD:
42548
, CBank-STR:871
Chemical and Pharmaceutical Bulletin
1995, "Studies on the Chinese crude drug ''Shoma'' IX. Three novel cyclolanostanol xylosides, cimicifugosides H-1, H-2 and H-5, from Cimicifuga rhizome"
CSDB ID 120610
(all data & tools)
Compound ID:
26804
b-D-Xylp-(1-3)-Subst12Ac Subst = acteol = SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C){12}[C@H](O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@@H]8[C@@]({27}[C@@H](O)O2)(C)O8
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Structure type:
monomer
Trivial name:
actein
Compound class:
saponin glycoside
Reference(s) to other database(s):
CCSD:
50569
, CBank-STR:857
Chemical and Pharmaceutical Bulletin
1995, "Studies on the Chinese crude drug ''Shoma'' IX. Three novel cyclolanostanol xylosides, cimicifugosides H-1, H-2 and H-5, from Cimicifuga rhizome"
CSDB ID 120611
(all data & tools)
Compound ID:
26805
b-D-Xylp-(1-3)-Subst12Ac Subst = 27-deoxyacetylacteol = SMILES C[C@@H]1C[C@]2(O[C@@H]3[C@H]1[C@@]4(C){12}[C@H](O)C[C@@]56C[C@@]57CC{3}[C@H](O)C(C)(C)[C@@H]7CC[C@H]6[C@]4(C)C3)[C@@H]8[C@@](CO2)(C)O8
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Structure type:
monomer
Trivial name:
27-deoxyactein
Compound class:
saponin glycoside
Reference(s) to other database(s):
CCSD:
50570
, CBank-STR:866
Chemical and Pharmaceutical Bulletin
1995, "Studies on the Chinese crude drug ''Shoma'' IX. Three novel cyclolanostanol xylosides, cimicifugosides H-1, H-2 and H-5, from Cimicifuga rhizome"
CSDB ID 120612
(all data & tools)
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