CHEBI:168509 - Cinncassiol D1 glucoside

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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 Cinncassiol D1 glucoside
ChEBI ID CHEBI:168509
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O10
Net Charge 0
Average Mass 514.612
Monoisotopic Mass 514.27780
InChI InChI=1S/C26H42O10/c1-11(9-34-21-19(30)18(29)17(28)14(8-27)35-21)13-7-15-22(2)10-25(32)24(13,4)26(15,33)20(36-25)16-12(22)5-6-23(16,3)31/h11-21,27-33H,5-10H2,1-4H3
InChIKey WJAZMOBIGFGGIP-UHFFFAOYSA-N
SMILES O1C2C3(O)C4(C1(O)CC(C3CC4C(COC5OC(C(O)C(O)C5O)CO)C)(C6C2C(O)(CC6)C)C)C
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 Cinncassiol D1 glucoside (CHEBI:168509) is a terpene glycoside (CHEBI:61777)
IUPAC Name
3,7,10-trimethyl-11-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-3,9,14-triol
Manual Xref Database
HMDB0034677 HMDB
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