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CHEBI:208737 - Grincamycin K

ChEBI IDCHEBI:208737
ChEBI NameGrincamycin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O12
Net Charge0
Average Mass598.601
Monoisotopic Mass598.20503
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)CC(c3ccc4c(c3O)C(=O)c3ccc(C[C@@](C)(O)CC(=O)O)c(O)c3C4=O)O[C@@H]2C)CCC1=O
InChIInChI=1S/C31H34O12/c1-13-19(32)8-9-23(42-13)43-30-14(2)41-21(10-20(30)33)16-6-7-18-25(27(16)37)29(39)17-5-4-15(26(36)24(17)28(18)38)11-31(3,40)12-22(34)35/h4-7,13-14,20-21,23,30,33,36-37,40H,8-12H2,1-3H3,(H,34,35)/t13-,14+,20+,21?,23-,30+,31+/m0/s1
InChIKeyBRRHWDDZWCUKOK-ZEANOCOLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28950383)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin K (CHEBI:208737) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[1,5-dihydroxy-6-[(4R,5S,6R)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
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