CHEBI:9209 - soyasapogenol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name soyasapogenol B
ChEBI ID CHEBI:9209
Definition A pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3β, 22β and 24-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O3
Net Charge 0
Average Mass 458.71620
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1
InChIKey YOQAQNKGFOLRGT-UXXABWCISA-N
SMILES [H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C
ChEBI Ontology
Outgoing soyasapogenol B (CHEBI:9209) has parent hydride oleanane (CHEBI:36481)
soyasapogenol B (CHEBI:9209) is a pentacyclic triterpenoid (CHEBI:25872)
Incoming soyasapogenol B 3-O-β-glucuronide (CHEBI:62439) has functional parent soyasapogenol B (CHEBI:9209)
soyasaponin I (CHEBI:9211) has functional parent soyasapogenol B (CHEBI:9209)
soyasaponin III (CHEBI:62867) has functional parent soyasapogenol B (CHEBI:9209)
IUPAC Name
(3β,22β)-olean-12-ene-3,22,24-triol
Synonyms Sources
24-hydroxysophoradiol MetaCyc
soyasapogenol B UniProt
soyasapogenol-B ChEBI
Manual Xrefs Databases
C00000256 KNApSAcK
C08980 KEGG COMPOUND
CPD-7610 MetaCyc
WO0181612 Patent
View more database links
Registry Numbers Types Sources
4911811 Reaxys Registry Number Reaxys
595-15-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12172845 PubMed citation Europe PMC
16478469 PubMed citation Europe PMC
21480462 PubMed citation Europe PMC
Last Modified
28 July 2014