CHEBI:222110 - Actinoplanone E

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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 Actinoplanone E
ChEBI ID CHEBI:222110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H29ClN2O10
Net Charge 0
Average Mass 625.030
Monoisotopic Mass 624.15107
InChI InChI=1S/C31H29ClN2O10/c1-10(2)33-34-11(3)23(32)13-6-12-7-16-19-21(17(12)24(36)18(13)31(34)39)26(38)22-25(37)20-15(40-4)8-14(35)27(41-5)29(20)44-30(22)28(19)43-9-42-16/h6,14-16,27,35-36,38H,7-9H2,1-5H3/t14-,15-,16-,27+/m0/s1
InChIKey RXQNODYVXOZZIK-OSLIRNSNSA-N
SMILES ClC=1C2=C(C(=O)N(C1C)N=C(C)C)C(O)=C3C4=C(O)C=5C(=O)C6=C([C@H](OC)[C@@H](O)C[C@@H]6OC)OC5C7=C4[C@H](CC3=C2)OCO7
Metabolite of Species Details
Actinoplanes (NCBI:txid1865) See: PubMed
ChEBI Ontology
Outgoing Actinoplanone E (CHEBI:222110) is a xanthones (CHEBI:51149)
IUPAC Name
(13S,21R,22S,24S)-8-chloro-3,22,28-trihydroxy-21,24-dimethoxy-7-methyl-6-(propan-2-ylideneamino)-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,20(25),27-octaene-5,26-dione
Manual Xref Database
78442978 ChemSpider
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