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CHEBI:198066 - Marinisporolide A

ChEBI IDCHEBI:198066
ChEBI NameMarinisporolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H62O10
Net Charge0
Average Mass690.915
Monoisotopic Mass690.43430
SMILESCC(=O)/C(C)=C/C=C/C=C/C=C/C=C/C[C@@H]1C[C@H](O)C[C@@]2(C[C@H](O)CC(/C=C/C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)C(C)C)O2)O1
InChIInChI=1S/C39H62O10/c1-26(2)38(47)28(4)37(46)23-32(43)20-31(42)19-30(41)16-14-18-36-22-34(45)25-39(49-36)24-33(44)21-35(48-39)17-13-11-9-7-6-8-10-12-15-27(3)29(5)40/h6-15,18,26,28,30-38,41-47H,16-17,19-25H2,1-5H3/b8-6+,9-7+,12-10+,13-11+,18-14+,27-15+/t28-,30+,31+,32-,33-,34+,35+,36?,37-,38-,39+/m0/s1
InChIKeyQAKIWUJBGBNYFP-NFGCWHTNSA-N
Species of MetaboliteComponentSourceComments
Marinispora (ncbitaxon:2926447) - PubMed (19132943)
ChEBI Ontology
Outgoing Relation(s)
Marinisporolide A (CHEBI:198066) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(3E,5E,7E,9E,11E)-13-[(4R,6R,8R,10S)-4,10-dihydroxy-2-[(E,4R,6R,8S,10S,11S,12S)-4,6,8,10,12-pentahydroxy-11,13-dimethyltetradec-1-enyl]-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methyltrideca-3,5,7,9,11-pentaen-2-one
Manual XrefsDatabases
78436314ChemSpider