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CHEBI:215743 - Cytosporolide A

ChEBI IDCHEBI:215743
ChEBI NameCytosporolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O9
Net Charge0
Average Mass588.738
Monoisotopic Mass588.32983
SMILESCCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/CO)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O
InChIInChI=1S/C33H48O9/c1-7-8-9-10-11-21-12-19-13-23(35)27-18(2)26(19)29(40-21)28-24(39-6)14-20(17-34)22-15-31(3,4)33(22,38)25(36)16-32(28,5)42-41-30(27)37/h13-14,21-22,24-25,28-29,34-36,38H,7-12,15-17H2,1-6H3/b20-14-/t21-,22-,24+,25+,28-,29+,32+,33-/m1/s1
InChIKeyMFHAAVYSAAPBIZ-IJQSQSFNSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (20550214)
ChEBI Ontology
Outgoing Relation(s)
Cytosporolide A (CHEBI:215743) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1R,2R,3S,4E,6R,9S,10S,12S,21R)-21-hexyl-9,10,17-trihydroxy-5-(hydroxymethyl)-3-methoxy-8,8,12,24-tetramethyl-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-15-one
Manual XrefsDatabases
28287843ChemSpider