CHEBI:168665 - Viscutin 2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Viscutin 2
ChEBI ID CHEBI:168665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H28O12
Net Charge 0
Average Mass 568.531
Monoisotopic Mass 568.15808
InChI InChI=1S/C29H28O12/c30-16-11-24-17(4-7-23(39-24)15-3-6-19(32)21(34)10-15)25(12-16)40-29-28(27(37)22(35)13-38-29)41-26(36)8-2-14-1-5-18(31)20(33)9-14/h1-3,5-6,8-12,22-23,27-35,37H,4,7,13H2/b8-2+/t22-,23+,27+,28?,29+/m1/s1
InChIKey QTZATSRJHQIPRH-PXEPPPPFSA-N
SMILES O1[C@@H](OC=2C=3CC[C@H](OC3C=C(O)C2)C4=CC(O)=C(O)C=C4)C(OC(=O)/C=C/C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C1
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Viscutin 2 (CHEBI:168665) is a flavonoids (CHEBI:72544)
Viscutin 2 (CHEBI:168665) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,4S,5R)-2-[[(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-4,5-dihydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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24842659 ChemSpider
LMPK12020266 LIPID MAPS
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