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CHEBI:216475 - 19-dehydroxyl-31-keto-3-epi-arthripenoid A

ChEBI IDCHEBI:216475
ChEBI Name19-dehydroxyl-31-keto-3-epi-arthripenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45NO8S
Net Charge0
Average Mass591.767
Monoisotopic Mass591.28659
SMILESCC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)c1c(O)c2c(c3nc(=O)sc13)[C@@H](O)[C@@H]1[C@@]3(C)CC[C@H](C(C)(C)O)O[C@@H]3CC[C@@]1(C)O2
InChIInChI=1S/C31H45NO8S/c1-9-14(2)24(38-16(4)33)15(3)19-22(34)25-20(21-26(19)41-28(36)32-21)23(35)27-30(7)12-10-17(29(5,6)37)39-18(30)11-13-31(27,8)40-25/h14-15,17-18,23-24,27,34-35,37H,9-13H2,1-8H3,(H,32,36)/t14-,15-,17+,18+,23+,24+,27+,30-,31+/m0/s1
InChIKeyRWBVYQMXSKGVDZ-YNYLVWBBSA-N
Species of MetaboliteComponentSourceComments
Bipolaris zeicola (ncbitaxon:5017) - PubMed (33191735)
ChEBI Ontology
Outgoing Relation(s)
19-dehydroxyl-31-keto-3-epi-arthripenoid A (CHEBI:216475) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S,3R,4S)-2-[(1S,2S,13R,16R,18R,21R)-2,10-dihydroxy-18-(2-hydroxypropan-2-yl)-13,21-dimethyl-6-oxo-12,17-dioxa-7-thia-5-azapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3,8,10-trien-9-yl]-4-methylhexan-3-yl] acetate