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CHEBI:226298 - Grincamycin H

ChEBI IDCHEBI:226298
ChEBI NameGrincamycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H40O11
Net Charge0
Average Mass672.727
Monoisotopic Mass672.25706
SMILESCc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@H]2C[C@@H](O)[C@H](O[C@H]4CC[C@H](O[C@H]5C=CC(=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C2)c(O)c1C3=O
InChIInChI=1S/C38H40O11/c1-16-11-24-23(27(40)12-16)15-25-33(36(24)44)35(43)22-6-5-21(34(42)32(22)37(25)45)20-13-17(2)38(28(41)14-20)49-31-10-8-29(19(4)47-31)48-30-9-7-26(39)18(3)46-30/h5-7,9,11-12,15,17-20,28-31,38,40-42,44H,8,10,13-14H2,1-4H3/t17-,18-,19-,20+,28+,29-,30-,31-,38+/m0/s1
InChIKeyLMLAVEQYPZJBBH-RUZYKBLISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28223690)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin H (CHEBI:226298) is a quinone (CHEBI:36141)
Grincamycin H (CHEBI:226298) is a tetracenes (CHEBI:51270)
IUPAC Name 
1,6,10-trihydroxy-2-[(1R,3R,4R,5S)-3-hydroxy-5-methyl-4-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxycyclohexyl]-8-methyltetracene-5,12-dione
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