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CHEBI:228333 - Poricoic acid D

Default Structure
ChEBI IDCHEBI:228333
ChEBI NamePoricoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O6
Net Charge0
Average Mass514.703
Monoisotopic Mass514.32944
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H](C(CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C31H46O6/c1-18(2)21-11-12-23-22(29(21,6)15-14-25(33)34)13-16-30(7)26(24(32)17-31(23,30)8)20(27(35)36)10-9-19(3)28(4,5)37/h12-13,20-21,24,26,32,37H,1,3,9-11,14-17H2,2,4-8H3,(H,33,34)(H,35,36)/t20?,21-,24+,26-,29-,30+,31-/m0/s1
InChIKeyDJHQMAXOQISYNY-OHUXFVNZSA-N
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid D (CHEBI:228333) 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-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid
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