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(Q72444738)
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English
Bacoside A
chemical compound
3-[(O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-19,20-dihydroxydammar-24-en-16-one
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₄₁H₆₆O₁₃
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canonical SMILES
CC(C)=CCCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(OC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)C(C)(C)C3CCC12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C41H68O13/c1-21(2)9-8-14-40(7,50)29-22-10-11-27-38(5,39(22,6)17-23(29)44)15-12-26-37(3,4)28(13-16-41(26,27)20-43)53-36-33(49)31(47)34(25(18-42)52-36)54-35-32(48)30(46)24(45)19-51-35/h9,22,24-36,42-43,45-50H,8,10-20H2,1-7H3
0 references
InChIKey
LKCTWIIDXXXXAR-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
11028-00-5
0 references
PubChem CID
53398644
1 reference
matched by identifier from
InChIKey
InChIKey
LKCTWIIDXXXXAR-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0248842
1 reference
matched by identifier from
InChIKey
InChIKey
LKCTWIIDXXXXAR-UHFFFAOYSA-N
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