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CHEBI:199005 - Cytosporolide C

ChEBI IDCHEBI:199005
ChEBI NameCytosporolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50O10
Net Charge0
Average Mass630.775
Monoisotopic Mass630.34040
SMILESCCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/COC(C)=O)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O
InChIInChI=1S/C35H50O10/c1-8-9-10-11-12-23-13-21-14-25(37)29-19(2)28(21)31(43-23)30-26(41-7)15-22(18-42-20(3)36)24-16-33(4,5)35(24,40)27(38)17-34(30,6)45-44-32(29)39/h14-15,23-24,26-27,30-31,37-38,40H,8-13,16-18H2,1-7H3/b22-15-/t23-,24-,26+,27+,30-,31+,34+,35-/m1/s1
InChIKeyHOCDVFMNFJTYFE-HOMGPBAESA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (20550214)
ChEBI Ontology
Outgoing Relation(s)
Cytosporolide C (CHEBI:199005) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[(1R,2R,3S,4E,6R,9S,10S,12S,21R)-21-hexyl-9,10,17-trihydroxy-3-methoxy-8,8,12,24-tetramethyl-15-oxo-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-5-yl]methyl acetate
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78436441ChemSpider