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CHEBI:225267 - 16-deoxyporicoic acid B

Default Structure
ChEBI IDCHEBI:225267
ChEBI Name16-deoxyporicoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H](C(CCC=C(C)C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C30H44O4/c1-19(2)9-8-10-21(27(33)34)23-13-17-30(7)25-12-11-22(20(3)4)28(5,16-15-26(31)32)24(25)14-18-29(23,30)6/h9,12,14,21-23H,3,8,10-11,13,15-18H2,1-2,4-7H3,(H,31,32)(H,33,34)/t21?,22-,23+,28-,29+,30-/m0/s1
InChIKeyZYEKRDSCPDPVSG-MTGBOMLISA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (17488130)
ChEBI Ontology
Outgoing Relation(s)
16-deoxyporicoic acid B (CHEBI:225267) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
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