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CHEBI:219315 - Stemphone F

ChEBI IDCHEBI:219315
ChEBI NameStemphone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O10
Net Charge0
Average Mass604.737
Monoisotopic Mass604.32475
SMILESCC=C(C)C(OC(C)=O)C(C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)C[C@H](O)[C@]4(C)[C@H]3[C@@H]2O)C1(O)CC(C)=O
InChIInChI=1S/C33H48O10/c1-10-16(2)27(41-19(5)35)18(4)20-13-21(36)25-26(38)28-31(8,43-29(25)33(20,40)15-17(3)34)12-11-23-32(28,9)22(37)14-24(42-23)30(6,7)39/h10,13,18,22-24,26-28,37-40H,11-12,14-15H2,1-9H3/t18?,22-,23+,24+,26+,27?,28-,31+,32-,33?/m0/s1
InChIKeySIAMAHZUVREBTB-ZJRVPMGPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (18776655)
ChEBI Ontology
Outgoing Relation(s)
Stemphone F (CHEBI:219315) is a oxanes (CHEBI:46942)
IUPAC Name 
[2-[(1S,3R,4aR,6aR,12S,12aS,12bS)-1,8,12-trihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-11-oxo-8-(2-oxopropyl)-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate