EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216459 - delta2-19-dehydroxyarthripenoid A

ChEBI IDCHEBI:216459
ChEBI Namedelta2-19-dehydroxyarthripenoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43NO7S
Net Charge0
Average Mass573.752
Monoisotopic Mass573.27602
SMILESCC=C(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/C31H43NO7S/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/h9,14,16,18-19,24-25,28,34-36H,10-13H2,1-8H3/t16-,18+,19+,24+,25+,28+,30-,31+/m0/s1
InChIKeyXCTSGCPPPQMWKM-IZRLPKJYSA-N
Species of MetaboliteComponentSourceComments
Bipolaris zeicola (ncbitaxon:5017) - PubMed (33191735)
ChEBI Ontology
Outgoing Relation(s)
delta2-19-dehydroxyarthripenoid A (CHEBI:216459) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S,3S)-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-methylhex-4-en-3-yl] acetate