CHEBI:191597 - Cafamarine

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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 Cafamarine
ChEBI ID CHEBI:191597
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/c27-9-17-19(30)20(31)21(32)23(36-17)35-12-26(33)10-24-5-3-15-14-4-6-34-22(14)16(29)8-25(15,11-28)18(24)2-1-13(26)7-24/h4,6,13,15,17-21,23,27-28,30-33H,1-3,5,7-12H2
InChIKey TXMUQQBIIGAMBQ-UHFFFAOYSA-N
SMILES OC1(C2CC3(C(C4(C(CC3)C5=C(OC=C5)C(=O)C4)CO)CC2)C1)COC6OC(C(O)C(O)C6O)CO
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Cafamarine (CHEBI:191597) is a naphthofuran (CHEBI:39270)
IUPAC Name
17-hydroxy-12-(hydroxymethyl)-17-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
Manual Xrefs Databases
74886368 ChemSpider
HMDB0037003 HMDB
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