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CHEBI:208725 - Grincamycin I

ChEBI IDCHEBI:208725
ChEBI NameGrincamycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H60O16
Net Charge0
Average Mass905.003
Monoisotopic Mass904.38814
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)CC(c4ccc5c(c4O)C(=O)c4ccc6c(c4C5=O)C(=O)C[C@](C)(O[C@H]4CC[C@H](O[C@H]5CCC(=O)[C@H](C)O5)[C@H](C)O4)C6)O[C@@H]3C)O[C@H]2C)CCC1=O
InChIInChI=1S/C49H60O16/c1-22-31(50)11-15-38(58-22)62-35-13-17-40(60-24(35)3)64-48-26(5)57-37(19-33(48)52)28-9-10-30-44(45(28)54)47(56)29-8-7-27-20-49(6,21-34(53)42(27)43(29)46(30)55)65-41-18-14-36(25(4)61-41)63-39-16-12-32(51)23(2)59-39/h7-10,22-26,33,35-41,48,52,54H,11-21H2,1-6H3/t22-,23-,24-,25-,26+,33+,35-,36-,37?,38-,39-,40-,41-,48+,49+/m0/s1
InChIKeyPAUDJWMVHHDYMX-ZYHOXTAXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28950383)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Grincamycin I (CHEBI:208725) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-8-hydroxy-9-[(4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
71048671ChemSpider