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CHEBI:216990 - Grincamycin B

ChEBI IDCHEBI:216990
ChEBI NameGrincamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H62O18
Net Charge0
Average Mass939.017
Monoisotopic Mass938.39362
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@](C)(CC(=O)O)O[C@H]6CC[C@H](O[C@H]7CCC(=O)[C@H](C)O7)[C@H](C)O6)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)CCC1=O
InChIInChI=1S/C49H62O18/c1-22-31(50)11-15-38(60-22)64-34-13-17-40(62-24(34)3)66-48-26(5)59-36(19-33(48)52)28-9-10-30-43(45(28)56)47(58)29-8-7-27(44(55)42(29)46(30)57)20-49(6,21-37(53)54)67-41-18-14-35(25(4)63-41)65-39-16-12-32(51)23(2)61-39/h7-10,22-26,33-36,38-41,48,52,55-56H,11-21H2,1-6H3,(H,53,54)/t22-,23-,24-,25-,26+,33+,34-,35-,36+,38-,39-,40-,41-,48+,49+/m0/s1
InChIKeyFMPNXDMJKBQLJR-SVDKGFTASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22304344)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin B (CHEBI:216990) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[1,5-dihydroxy-6-[(2R,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]-9,10-dioxoanthracen-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
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