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CHEBI:213796 - Saturnispol A

ChEBI IDCHEBI:213796
ChEBI NameSaturnispol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O10
Net Charge0
Average Mass530.570
Monoisotopic Mass530.21520
SMILESCC1=C(O)C(=C(O)/C=C/C=C/CO)[C@@H]2[C@]3(C)C(=O)C(=C(O)/C=C/C=C/CO)C[C@](C)(O)[C@]3(O)O[C@]2(C)C1=O
InChIInChI=1S/C28H34O10/c1-16-21(33)20(19(32)12-8-6-10-14-30)22-26(3)24(35)17(18(31)11-7-5-9-13-29)15-25(2,36)28(26,37)38-27(22,4)23(16)34/h5-12,22,29-33,36-37H,13-15H2,1-4H3/b9-5+,10-6+,11-7+,12-8+,18-17?,20-19?/t22-,25+,26-,27+,28+/m1/s1
InChIKeyIPWFJFQVSWIPLL-KNNDUHNWSA-N
Species of MetaboliteComponentSourceComments
Trichoderma saturnisporum (ncbitaxon:5549) - PubMed (29973484)
ChEBI Ontology
Outgoing Relation(s)
Saturnispol A (CHEBI:213796) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(4S,4aR,5aS,9aR,9bR)-2,9-bis[(2E,4E)-1,6-dihydroxyhexa-2,4-dienylidene]-4,4a,8-trihydroxy-4,5a,7,9b-tetramethyl-3,9a-dihydrodibenzouran-1,6-dione
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78439264ChemSpider