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CHEBI:216453 - 19-dehydroxyarthripenoid A

ChEBI IDCHEBI:216453
ChEBI Name19-dehydroxyarthripenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H45NO7S
Net Charge0
Average Mass575.768
Monoisotopic Mass575.29167
SMILESCC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)c1c(O)c2c(c3ncsc13)[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/C31H45NO7S/c1-9-15(2)25(37-17(4)33)16(3)20-23(34)26-21(22-27(20)40-14-32-22)24(35)28-30(7)12-10-18(29(5,6)36)38-19(30)11-13-31(28,8)39-26/h14-16,18-19,24-25,28,34-36H,9-13H2,1-8H3/t15-,16+,18-,19-,24-,25-,28-,30+,31-/m1/s1
InChIKeyUUKPVRYZLGXERF-QQYJWVJYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris zeicola (ncbitaxon:5017) - PubMed (33191735)
ChEBI Ontology
Outgoing Relation(s)
19-dehydroxyarthripenoid A (CHEBI:216453) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S,3R,4R)-2-[(1S,2S,13R,16R,18R,21R)-2,10-dihydroxy-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-3,5,8,10-tetraen-9-yl]-4-methylhexan-3-yl] acetate