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CHEBI:168612 - Cartormin

ChEBI IDCHEBI:168612
ChEBI NameCartormin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO13
Net Charge0
Average Mass575.523
Monoisotopic Mass575.16389
SMILESO=C(/C=C/c1ccc(O)cc1)C1=C(O)c2cc(C3OCC(O)C3O)nc2C(O)(C2OC(CO)C(O)C(O)C2O)C1=O
InChIInChI=1S/C27H29NO13/c29-8-16-20(35)21(36)22(37)26(41-16)27(39)24-12(7-13(28-24)23-19(34)15(32)9-40-23)18(33)17(25(27)38)14(31)6-3-10-1-4-11(30)5-2-10/h1-7,15-16,19-23,26,28-30,32-37,39H,8-9H2/b6-3+
InChIKeyDDYOBOBXPBUGTA-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cartormin (CHEBI:168612) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2-(3,4-dihydroxyoxolan-2-yl)-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-6-one
Manual XrefsDatabases
HMDB0035209HMDB
35013876ChemSpider