CHEBI:226298 - Grincamycin H

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Grincamycin H
ChEBI ID CHEBI:226298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H40O11
Net Charge 0
Average Mass 672.727
Monoisotopic Mass 672.25706
InChI InChI=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
InChIKey LMLAVEQYPZJBBH-RUZYKBLISA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)C=3C1=CC4=C(O)C=C(C=C4C3O)C)[C@H]5C[C@@H](O)[C@H](O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H](C(=O)C=C7)C)CC6)C)[C@H](C5)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78438813 ChemSpider
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