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CHEBI:229143 - Ilekudinnol B

ChEBI IDCHEBI:229143
ChEBI NameIlekudinnol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILES[H][C@@]12CCC3C4CC[C@@]5(C(=O)O)CC[C@@H](C)[C@H](C)C5C4=CC[C@]3(C)[C@@]1(C)C[C@@H](O)[C@H](O)C2=C
InChIInChI=1S/C28H42O4/c1-15-8-12-28(25(31)32)13-10-18-19(23(28)16(15)2)9-11-26(4)21(18)7-6-20-17(3)24(30)22(29)14-27(20,26)5/h9,15-16,18,20-24,29-30H,3,6-8,10-14H2,1-2,4-5H3,(H,31,32)/t15-,16+,18?,20+,21?,22-,23?,24-,26+,27+,28+/m1/s1
InChIKeyQMJSJXINZNNXJS-JBDOSJRGSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Ilekudinnol B (CHEBI:229143) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(1S,2R,4aS,6aS,8aR,10R,11R,12aS)-10,11-dihydroxy-1,2,6a,12a-tetramethyl-9-methylidene-1,2,3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
4477004ChemSpider