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CHEBI:216426 - delta12-19-dehydroxyarthripenoid A

ChEBI IDCHEBI:216426
ChEBI Namedelta12-19-dehydroxyarthripenoid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43NO6S
Net Charge0
Average Mass557.753
Monoisotopic Mass557.28111
SMILESCC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)c1c(O)c2c(c3ncsc13)C=C1[C@@](C)(CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]13C)O2
InChIInChI=1S/C31H43NO6S/c1-9-16(2)26(36-18(4)33)17(3)23-25(34)27-19(24-28(23)39-15-32-24)14-20-30(7)12-10-21(29(5,6)35)37-22(30)11-13-31(20,8)38-27/h14-17,21-22,26,34-35H,9-13H2,1-8H3/t16-,17+,21-,22-,26-,30-,31-/m1/s1
InChIKeyPVWNDMUERYKABM-HKRVIELLSA-N
Species of MetaboliteComponentSourceComments
Bipolaris zeicola (ncbitaxon:5017) - PubMed (33191735)
ChEBI Ontology
Outgoing Relation(s)
delta12-19-dehydroxyarthripenoid A (CHEBI:216426) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2S,3R,4R)-2-[(13R,16R,18R,21R)-10-hydroxy-18-(2-hydroxypropan-2-yl)-13,21-dimethyl-12,17-dioxa-7-thia-5-azapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1,3,5,8,10-pentaen-9-yl]-4-methylhexan-3-yl] acetate