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CHEBI:221222 - A80915C

ChEBI IDCHEBI:221222
ChEBI NameA80915C
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FormulaC26H33Cl3O6
Net Charge0
Average Mass547.903
Monoisotopic Mass546.13427
SMILESCc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@@]1(CC1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O
InChIInChI=1S/C26H33Cl3O6/c1-12-14(30)9-13-18(19(12)31)21(33)25(29)11-17(28)23(4,5)35-26(25,20(13)32)10-15-22(2,3)16(27)7-8-24(15,6)34/h9,15-17,30-31,34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25-,26-/m0/s1
InChIKeyXGGIVXWAYKZBIV-JBPAMENMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ-525 (ncbitaxon:418855) - PubMed (17392281)
ChEBI Ontology
Outgoing Relation(s)
A80915C (CHEBI:221222) is a organic heterotricyclic compound (CHEBI:26979)
A80915C (CHEBI:221222) is a organooxygen compound (CHEBI:36963)
IUPAC Names 
(3R,4aR,10aS)-3,4a-dichloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
(3R,4aS,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-4,4a-dihydro-3H-benzo[g]chromene-5,10-dione