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CHEBI:205074 - 26-hydroxyporicoic acid DM

Default Structure
ChEBI IDCHEBI:205074
ChEBI Name26-hydroxyporicoic acid DM
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O7
Net Charge0
Average Mass544.729
Monoisotopic Mass544.34000
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H](C(CCC(=C)C(C)(O)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C32H48O7/c1-19(2)22-11-12-24-23(29(22,4)15-14-26(35)39-8)13-16-30(5)27(25(34)17-31(24,30)6)21(28(36)37)10-9-20(3)32(7,38)18-33/h12-13,21-22,25,27,33-34,38H,1,3,9-11,14-18H2,2,4-8H3,(H,36,37)/t21?,22-,25+,27-,29-,30+,31-,32?/m0/s1
InChIKeyVWGBTUVMVDGTRM-XZUPHIJISA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (19746919)
ChEBI Ontology
Outgoing Relation(s)
26-hydroxyporicoic acid DM (CHEBI:205074) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6,7-dihydroxy-6-methyl-5-methylideneheptanoic acid
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78437234ChemSpider