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CHEBI:229098 - DELTA3,5-Deoxyneotigogenin

Default Structure
ChEBI IDCHEBI:229098
ChEBI NameDELTA3,5-Deoxyneotigogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O2
Net Charge0
Average Mass396.615
Monoisotopic Mass396.30283
SMILES[H][C@]12[C@H](C)[C@@]3(CC[C@H](C)CO3)O[C@@]1([H])CC1C3CC=C4C=CCC[C@]4(C)C3CC[C@@]12C
InChIInChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18-,20?,21?,22?,23-,24-,25-,26-,27+/m0/s1
InChIKeyYEQBGJNMHDZXRG-HCDRJGBUSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
DELTA3,5-Deoxyneotigogenin (CHEBI:229098) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4S,5'S,6R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane]
Manual XrefsDatabases
HMDB0034421HMDB