CHEBI:219437 - Formicamycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Formicamycin A
ChEBI ID CHEBI:219437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H29ClO8
Net Charge 0
Average Mass 553.000
Monoisotopic Mass 552.15510
InChI InChI=1S/C30H29ClO8/c1-13-7-15(37-4)10-20(38-5)23(13)16-11-21(39-6)26(31)17-12-22-29(2,3)18-8-14(32)9-19(33)25(18)28(35)30(22,36)27(34)24(16)17/h7-11,22,32-33,36H,12H2,1-6H3/t22-,30-/m1/s1
InChIKey PYYNLZYNJIYAOW-YKGWIAGDSA-N
SMILES ClC1=C(OC)C=C(C2=C(OC)C=C(OC)C=C2C)C3=C1C[C@@H]4C(C=5C=C(O)C=C(C5C([C@@]4(C3=O)O)=O)O)(C)C
Metabolite of Species Details
Streptomyces formicae (NCBI:txid1616117) See: PubMed
ChEBI Ontology
Outgoing Formicamycin A (CHEBI:219437) is a tetralins (CHEBI:36786)
IUPAC Name
(5aR,11aR)-10-chloro-7-(2,4-dimethoxy-6-methylphenyl)-2,4,5a-trihydroxy-9-methoxy-12,12-dimethyl-11,11a-dihydrotetracene-5,6-dione
Manual Xref Database
58825812 ChemSpider
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