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CHEBI:212438 - Integramycin

ChEBI IDCHEBI:212438
ChEBI NameIntegramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H49NO9
Net Charge0
Average Mass639.786
Monoisotopic Mass639.34073
SMILESCC1=C[C@@H]2CC[C@@H](O)[C@H](C)[C@@H]2[C@@H](C(O)=C2C(=O)NC(O)C2=O)[C@@H]1C[C@H]1O[C@@]2(CC[C@H](C)[C@@H](c3cc(O)cc(O)c3)O2)[C@@H](C)C[C@@H]1C
InChIInChI=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
InChIKeyGAMYHMPHACRYMO-MHAWJCPTSA-N
Species of MetaboliteComponentSourceComments
Actinoplanesspecies (ncbitaxon:1871) - PubMed (11922798)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78439782ChemSpider