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CHEBI:214589 - (24E)-3,4-seco-cucurbita-4,24-diene-3-hydroxy-26,29-dioic acid

Default Structure
ChEBI IDCHEBI:214589
ChEBI Name(24E)-3,4-seco-cucurbita-4,24-diene-3-hydroxy-26,29-dioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILESC/C(C(=O)O)=C1\CC[C@@H]2[C@@](C)(CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@H]1CCCO
InChIInChI=1S/C30H48O5/c1-19(9-7-10-20(2)26(32)33)23-14-15-30(6)25-13-12-22(21(3)27(34)35)24(11-8-18-31)28(25,4)16-17-29(23,30)5/h10,19,23-25,31H,7-9,11-18H2,1-6H3,(H,32,33)(H,34,35)/b20-10+,22-21-/t19-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKeyATZQJRLRJKPHQB-ZECBZNPZSA-N
Species of MetaboliteComponentSourceComments
Russula lepida (ncbitaxon:152963) - PubMed (27066716)
ChEBI Ontology
Outgoing Relation(s)
(24E)-3,4-seco-cucurbita-4,24-diene-3-hydroxy-26,29-dioic acid (CHEBI:214589) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3R,3aR,5aS,6S,7Z,9aR,9bS)-7-(1-carboxyethylidene)-6-(3-hydroxypropyl)-3a,5a,9b-trimethyl-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78442132ChemSpider