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CHEBI:168489 - cis-p-Coumaroylcorosolic acid

Default Structure
ChEBI IDCHEBI:168489
ChEBI Namecis-p-Coumaroylcorosolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H54O6
Net Charge0
Average Mass618.855
Monoisotopic Mass618.39204
SMILESCC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)C5CCC43C)C2C1C
InChIInChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+
InChIKeyFEVUQLLYZLSRLB-XNTDXEJSSA-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)
cis-p-Coumaroylcorosolic acid (CHEBI:168489) is a triterpenoid (CHEBI:36615)
IUPAC Name 
11-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Manual XrefsDatabases
35014949ChemSpider
HMDB0040495HMDB