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CHEBI:202394 - Rhizoxin S2

ChEBI IDCHEBI:202394
ChEBI NameRhizoxin S2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49NO9
Net Charge0
Average Mass627.775
Monoisotopic Mass627.34073
SMILESCO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)C1C[C@H](O)C2(C)O[C@@H]2/C=C\[C@@H](C)C(O)C[C@H](CC(=O)O)C/C=C\C(=O)O1
InChIInChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(42-7)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-32(39)40)12-9-13-33(41)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38H,12,17-19H2,1-7H3,(H,39,40)/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28?,29?,30+,31-,34+,35?/m1/s1
InChIKeyFAIGGHHPKTYDHM-VRAWKDPKSA-N
Species of MetaboliteComponentSourceComments
Burkholderiaspecies (ncbitaxon:36773) - PubMed (16939276)
ChEBI Ontology
Outgoing Relation(s)
Rhizoxin S2 (CHEBI:202394) is a terpene lactone (CHEBI:37668)
IUPAC Name 
2-[(2S,7Z,10R,13R,14Z,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid
Manual XrefsDatabases
78445096ChemSpider