CHEBI:173302 - Donhexocin

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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 Donhexocin
ChEBI ID CHEBI:173302
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H66O8
Net Charge 0
Average Mass 614.905
Monoisotopic Mass 614.47577
InChI InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-22-33(40)34(41)26-32(39)25-31(38)21-17-16-19-29(36)18-13-12-14-20-30(37)24-28-23-27(2)43-35(28)42/h23,27,29-34,36-41H,3-22,24-26H2,1-2H3/t27-,29?,30+,31?,32?,33?,34?/m0/s1
InChIKey HCHGFYPZNIAAGT-MOZMCZEASA-N
SMILES OC(CC(O)C(O)CCCCCCCCCCCC)CC(O)CCCCC(O)CCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C
ChEBI Ontology
Outgoing Donhexocin (CHEBI:173302) is a polyketide (CHEBI:26188)
IUPAC Name
(2S)-4-[(2R)-2,8,13,15,17,18-hexahydroxytriacontyl]-2-methyl-2H-uran-5-one