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CHEBI:208648 - 6,7-dehydroporicoic acid H

Default Structure
ChEBI IDCHEBI:208648
ChEBI Name6,7-dehydroporicoic acid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILESC=C(CCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)C=C3)C(C)C
InChIInChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h11-12,18,21-22,25,27,32H,3,5,9-10,13-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKeyHYCQUZBUDTVVSJ-KGXQETAESA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (19746919)
ChEBI Ontology
Outgoing Relation(s)
6,7-dehydroporicoic acid H (CHEBI:208648) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
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78438454ChemSpider