CHEBI:212438 - Integramycin

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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 Integramycin
ChEBI ID CHEBI:212438
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H49NO9
Net Charge 0
Average Mass 639.786
Monoisotopic Mass 639.34073
InChI InChI=1S/C36H49NO9/c1-16-8-9-36(46-33(16)22-12-23(38)14-24(39)13-22)19(4)10-18(3)27(45-36)15-25-17(2)11-21-6-7-26(40)20(5)28(21)29(25)31(41)30-32(42)35(44)37-34(30)43/h11-14,16,18-21,25-29,33,35,38-41,44H,6-10,15H2,1-5H3,(H,37,43)/t16-,18-,19-,20-,21-,25+,26+,27+,28-,29-,33-,35?,36+/m0/s1
InChIKey GAMYHMPHACRYMO-MHAWJCPTSA-N
SMILES O=C1NC(O)C(C1=C(O)[C@@H]2[C@@H]3[C@H](C=C([C@H]2C[C@H]4O[C@]5(O[C@H](C6=CC(O)=CC(=C6)O)[C@@H](C)CC5)[C@@H](C)C[C@@H]4C)C)CC[C@H]([C@@H]3C)O)=O
Metabolite of Species Details
Actinoplanesspecies (NCBI:txid1871) See: PubMed
ChEBI Ontology
Outgoing Integramycin (CHEBI:212438) is a resorcinols (CHEBI:33572)
IUPAC Name
3-[[(1R,2S,4aR,7R,8R,8aR)-2-[[(2S,3S,6R,8R,9S,11S)-2-(3,5-dihydroxyphenyl)-3,9,11-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-7-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-5-hydroxypyrrolidine-2,4-dione
Manual Xref Database
78439782 ChemSpider
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