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CHEBI:223562 - (24E)-3,4-secocucurbita-4,24-diene-3,26-dioic acid

Default Structure
ChEBI IDCHEBI:223562
ChEBI Name(24E)-3,4-secocucurbita-4,24-diene-3,26-dioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
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]1CCC(=O)O
InChIInChI=1S/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKeyYBIIHHTTWQAQQS-ADEQFILDSA-N
Species of MetaboliteComponentSourceComments
Russula lepida (ncbitaxon:152963) - DOI (10.1002/1522-2675(20001220)83:12<3191::aid-hlca3191>3.0.co;2-v)
ChEBI Ontology
Outgoing Relation(s)
(24E)-3,4-secocucurbita-4,24-diene-3,26-dioic acid (CHEBI:223562) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-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
78441937ChemSpider