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CHEBI:226316 - Gonytolide E

ChEBI IDCHEBI:226316
ChEBI NameGonytolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O14
Net Charge0
Average Mass638.578
Monoisotopic Mass638.16356
SMILESCOC(=O)[C@]12Oc3cc(C)c(-c4c(C)cc(O)c5c4O[C@@](C(=O)OC)([C@@H]4CCC(=O)O4)CC5=O)c(O)c3C(O)=C1C(=O)CC[C@@H]2O
InChIInChI=1S/C32H30O14/c1-12-9-15(34)23-16(35)11-31(29(40)42-3,19-7-8-20(37)44-19)46-28(23)22(12)21-13(2)10-17-24(26(21)38)27(39)25-14(33)5-6-18(36)32(25,45-17)30(41)43-4/h9-10,18-19,34,36,38-39H,5-8,11H2,1-4H3/t18-,19-,31+,32+/m0/s1
InChIKeyKBVLCKDVHPJHPD-ZNCLPONBSA-N
Species of MetaboliteComponentSourceComments
Gonytrichumspecies (ncbitaxon:2706005) - DOI (10.1016/j.tet.2012.05.064)
ChEBI Ontology
Outgoing Relation(s)
Gonytolide E (CHEBI:226316) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (4S,4aS)-4,8,9-trihydroxy-7-[(2R)-5-hydroxy-2-methoxycarbonyl-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromen-8-yl]-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
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78438343ChemSpider