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CHEBI:201606 - Threo-6'-Hydroxyustusolate C

ChEBI IDCHEBI:201606
ChEBI NameThreo-6'-Hydroxyustusolate C
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SubmitterMetaboLights
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FormulaC23H32O7
Net Charge0
Average Mass420.502
Monoisotopic Mass420.21480
SMILESCC(O)C(O)C=CC=CC(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3
InChIKeyAVBLSPPEZPLINV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Threo-6'-Hydroxyustusolate C (CHEBI:201606) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate
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