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CHEBI:199641 - 3,4-secocucurbita-4,24E-diene-3-hydroxy-26-carboxylic acid

Default Structure
ChEBI IDCHEBI:199641
ChEBI Name3,4-secocucurbita-4,24E-diene-3-hydroxy-26-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESCC(C)=C1CC[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/C30H50O3/c1-20(2)23-13-14-26-28(5,25(23)12-9-19-31)17-18-29(6)24(15-16-30(26,29)7)21(3)10-8-11-22(4)27(32)33/h11,21,24-26,31H,8-10,12-19H2,1-7H3,(H,32,33)/b22-11+/t21-,24-,25-,26-,28+,29-,30+/m1/s1
InChIKeyCZJIGFJHVBSALM-CWZIPENLSA-N
Species of MetaboliteComponentSourceComments
Russula lepida (ncbitaxon:152963) - PubMed (22938994)
ChEBI Ontology
Outgoing Relation(s)
3,4-secocucurbita-4,24E-diene-3-hydroxy-26-carboxylic acid (CHEBI:199641) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(3-hydroxypropyl)-3a,5a,9b-trimethyl-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78443371ChemSpider