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CHEBI:219310 - Stemphone E

ChEBI IDCHEBI:219310
ChEBI NameStemphone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O9
Net Charge0
Average Mass548.673
Monoisotopic Mass548.29853
SMILESC/C=C(\C)C(OC(C)=O)C(C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)C[C@H](O)[C@]3(C)[C@H]1[C@@H]2O
InChIInChI=1S/C30H44O9/c1-9-14(2)25(37-16(4)31)15(3)17-12-18(32)22-24(35)27-29(7,39-26(22)23(17)34)11-10-20-30(27,8)19(33)13-21(38-20)28(5,6)36/h9,12,15,19-21,24-25,27,32-36H,10-11,13H2,1-8H3/b14-9+/t15?,19-,20+,21+,24+,25?,27-,29+,30-/m0/s1
InChIKeyMYZACEYVYXQKLA-YJRNQSACSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (18776655)
ChEBI Ontology
Outgoing Relation(s)
Stemphone E (CHEBI:219310) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(E)-2-[(1S,3R,4aR,6aR,12S,12aS,12bS)-1,8,11,12-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate