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CHEBI:223962 - Vertisporin

ChEBI IDCHEBI:223962
ChEBI NameVertisporin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESC[C@H]1C=C2O[C@H]3C[C@@H]4OC(=O)/C=C/CC[C@]56OCC/C(=C/C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1)[C@H]5O[C@H](O)[C@H]6O
InChIInChI=1S/C29H36O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3,5,11-12,16,18,20,23-25,32-33H,4,6-10,13-15H2,1-2H3/b5-3+,17-12-/t16-,18+,20+,23-,24-,25+,26+,27-,28-,29-/m1/s1
InChIKeyLERCQWPSQAJZLO-VYVIGVDVSA-N
Species of MetaboliteComponentSourceComments
Verticimonosporium (ncbitaxon:73510) - PubMed (1150545)
ChEBI Ontology
Outgoing Relation(s)
Vertisporin (CHEBI:223962) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,4E,8S,9R,10R,11S,15R,18R,22Z,24R,26S,27S)-26,27-dihydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,13,22-triene-10,2'-oxirane]-6,21-dione