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CHEBI:198048 - Pestalotiopin C

ChEBI IDCHEBI:198048
ChEBI NamePestalotiopin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILESCCCCCCC(/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)COC(C)=O
InChIInChI=1S/C32H48O8/c1-8-9-10-11-12-24(18-38-23(6)33)15-19(2)28(34)22(5)30(36)40-27-14-13-20(3)31(7)16-25-21(4)29(35)39-26(25)17-32(27,31)37/h15,17,20,22,24,27-28,34,37H,8-14,16,18H2,1-7H3/b19-15+/t20-,22+,24?,27+,28+,31+,32-/m0/s1
InChIKeyKQDSRQYBICMLPJ-DWAGUGCHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis photiniae (ncbitaxon:289238) - DOI (10.1002/hlca.201100010)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopin C (CHEBI:198048) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4aR,5S,8R,8aR)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[][1]benzouran-8-yl] (E,2R,3S)-6-(acetyloxymethyl)-3-hydroxy-2,4-dimethyldodec-4-enoate
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78440708ChemSpider