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CHEBI:168025 - Homodolicholide

ChEBI IDCHEBI:168025
ChEBI NameHomodolicholide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O6
Net Charge0
Average Mass492.697
Monoisotopic Mass492.34509
SMILESC/C=C(\C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
InChIInChI=1S/C29H48O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-26,30-33H,8-14H2,1-6H3/b17-7+
InChIKeyLRRBQWHWKJDDAW-REZTVBANSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Homodolicholide (CHEBI:168025) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
15-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Manual XrefsDatabases
HMDB0033907HMDB
35013676ChemSpider