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CHEBI:168015 - 3-O-cis-Coumaroylmaslinic acid

Default Structure
ChEBI IDCHEBI:168015
ChEBI Name3-O-cis-Coumaroylmaslinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H54O6
Net Charge0
Average Mass618.855
Monoisotopic Mass618.39204
SMILESCC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1
InChIInChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10-
InChIKeyKWLOAKAXMOYBRK-GDNBJRDFSA-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)
3-O-cis-Coumaroylmaslinic acid (CHEBI:168015) is a triterpenoid (CHEBI:36615)
IUPAC Name 
11-hydroxy-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Manual XrefsDatabases
4475253ChemSpider
HMDB0034539HMDB