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CHEBI:219476 - Formicamycin H

ChEBI IDCHEBI:219476
ChEBI NameFormicamycin H
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SubmitterMetaboLights
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FormulaC30H27Cl3O8
Net Charge0
Average Mass621.897
Monoisotopic Mass620.07715
SMILESCOc1cc2c(c(-c3c(OC)cc(OC)c(Cl)c3C)c1)C(=O)[C@@]1(O)C(=O)c3c(O)c(Cl)c(O)c(Cl)c3C(C)(C)[C@H]1C2
InChIInChI=1S/C30H27Cl3O8/c1-11-18(15(40-5)10-16(41-6)22(11)31)14-9-13(39-4)7-12-8-17-29(2,3)21-20(25(34)24(33)26(35)23(21)32)28(37)30(17,38)27(36)19(12)14/h7,9-10,17,34-35,38H,8H2,1-6H3/t17-,30-/m1/s1
InChIKeyWITUCWDZFNOOOS-BJLXPSRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces formicae (ncbitaxon:1616117) - PubMed (28507698)
ChEBI Ontology
Outgoing Relation(s)
Formicamycin H (CHEBI:219476) is a tetralins (CHEBI:36786)
IUPAC Name 
(5aR,11aR)-1,3-dichloro-7-(3-chloro-4,6-dimethoxy-2-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione
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