CHEBI:168885 - Mozambioside

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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 Mozambioside
ChEBI ID CHEBI:168885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O10
Net Charge 0
Average Mass 508.564
Monoisotopic Mass 508.23085
InChI InChI=1S/C26H36O10/c1-24-8-15(29)21-13(3-5-34-21)14(24)2-4-25-7-12(26(33,10-25)11-28)6-16(22(24)25)35-23-20(32)19(31)18(30)17(9-27)36-23/h3,5,12,14,16-20,22-23,27-28,30-33H,2,4,6-11H2,1H3
InChIKey FNIBRRHOZLASGI-UHFFFAOYSA-N
SMILES O(C1C2C3(CC(C(O)(C3)CO)C1)CCC4C2(CC(=O)C=5OC=CC45)C)C6OC(C(O)C(O)C6O)CO
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 Mozambioside (CHEBI:168885) is a naphthofuran (CHEBI:39270)
IUPAC Name
17-hydroxy-17-(hydroxymethyl)-12-methyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
Manual Xref Database
HMDB0037002 HMDB
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