CHEBI:8036 - Pfaffic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Pfaffic acid
ChEBI ID CHEBI:8036
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H44O3
Net Charge 0
Average Mass 440.659
Monoisotopic Mass 440.32905
InChI InChI=1S/C29H44O3/c1-24(2)19-9-12-27(5)20(26(19,4)11-10-22(24)30)8-7-17-18-15-25(3)13-14-29(18,23(31)32)21(25)16-28(17,27)6/h7,18-22,30H,8-16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22-,25+,26-,27+,28+,29+/m0/s1
InChIKey AXDBORJNOUXIBC-FZVIGMKHSA-N
SMILES C[C@@]12CC[C@]3([C@@H](C1)C1=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)C[C@@H]23)C(O)=O
ChEBI Ontology
Outgoing Pfaffic acid (CHEBI:8036) is a triterpenoid (CHEBI:36615)
Synonym Source
Pfaffic acid KEGG COMPOUND
Manual Xrefs Databases
C00003539 KNApSAcK
C08965 KEGG COMPOUND
View more database links
Registry Number Type Source
86432-14-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014