CHEBI:202965 - Colletobredin C

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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 Colletobredin C
ChEBI ID CHEBI:202965
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H34O8
Net Charge 0
Average Mass 426.506
Monoisotopic Mass 426.22537
InChI InChI=1S/C22H34O8/c1-4-5-6-7-13-8-14-11(2)17(24)12(3)21(15(14)10-28-13)30-22-20(27)19(26)18(25)16(9-23)29-22/h13,16,18-20,22-27H,4-10H2,1-3H3/t13-,16+,18+,19-,20+,22-/m0/s1
InChIKey XUKJWPXLCBGIPO-AZAWAHRISA-N
SMILES O1[C@@H](OC2=C3C(=C(C)C(=C2C)O)C[C@H](CCCCC)OC3)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O
Metabolite of Species Details
Colletotrichum (NCBI:txid5455) See: PubMed
ChEBI Ontology
Outgoing Colletobredin C (CHEBI:202965) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3R,4S,5S,6R)-2-[[(3S)-6-hydroxy-5,7-dimethyl-3-pentyl-3,4-dihydro-1H-isochromen-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
78440922 ChemSpider
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