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CHEBI:221236 - (3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

ChEBI IDCHEBI:221236
ChEBI Name(3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34Cl2O7
Net Charge0
Average Mass529.457
Monoisotopic Mass528.16816
SMILESCc1c(O)cc2c(c1O)C(=O)C1(O)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/C26H34Cl2O7/c1-12-14(29)9-13-18(19(12)30)21(32)25(34)11-17(28)23(4,5)35-26(25,20(13)31)10-15-22(2,3)16(27)7-8-24(15,6)33/h9,15-17,29-30,33-34H,7-8,10-11H2,1-6H3/t15?,16-,17+,24-,25?,26-/m0/s1
InChIKeyNLLBVEYNGJBFKB-ZFARLDKKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CNQ-525 (ncbitaxon:418855) - PubMed (17392281)
ChEBI Ontology
Outgoing Relation(s)
(3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione (CHEBI:221236) is a organic heterotricyclic compound (CHEBI:26979)
(3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione (CHEBI:221236) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,10aR)-3-chloro-10a-[[(3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2,7-trimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione