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CHEBI:212688 - Seragakinone A

ChEBI IDCHEBI:212688
ChEBI NameSeragakinone A
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FormulaC26H26O12
Net Charge0
Average Mass530.482
Monoisotopic Mass530.14243
SMILESCOc1cc(O)c2c(c1)C(=O)[C@]13C[C@@H](C(C)(C)O)O[C@H]1[C@@]1(O)CC(=O)C(C(C)=O)=C(O)[C@@]1(O)C(=O)C3=C2O
InChIInChI=1S/C26H26O12/c1-9(27)15-13(29)7-25(35)22-24(8-14(38-22)23(2,3)34)17(21(33)26(25,36)20(15)32)18(30)16-11(19(24)31)5-10(37-4)6-12(16)28/h5-6,14,22,28,30,32,34-36H,7-8H2,1-4H3/t14-,22+,24+,25-,26+/m0/s1
InChIKeyCMHGCGOFAOLPJT-LJADVZERSA-N
ChEBI Ontology
Outgoing Relation(s)
Seragakinone A (CHEBI:212688) is a quinone (CHEBI:36141)
Seragakinone A (CHEBI:212688) is a tetracenes (CHEBI:51270)
IUPAC Name 
(1S,3S,5R,6S,11S)-9-acetyl-6,10,11,14,16-pentahydroxy-3-(2-hydroxypropan-2-yl)-18-methoxy-4-oxapentacyclo[11.8.0.01,5.06,11.015,20]henicosa-9,13,15(20),16,18-pentaene-8,12,21-trione
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8825245ChemSpider