CHEBI:222147 - Grincamycin P

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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 P
ChEBI ID CHEBI:222147
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H46O14
Net Charge 0
Average Mass 714.761
Monoisotopic Mass 714.28876
InChI InChI=1S/C37H46O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-8,16-18,23-26,28-29,36,38-39,42-43,46H,9-15H2,1-4H3,(H,40,41)/t16-,17-,18+,23-,24+,25-,26+,28-,29-,36+,37+/m0/s1
InChIKey WSVOTZGNSOTMOU-GIFAYICHSA-N
SMILES O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)C[C@@](O)(CC(=O)O)C)[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@H]([C@@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)CC5)C)[C@@H](C4)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Grincamycin P (CHEBI:222147) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3R)-4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
Manual Xref Database
109107863 ChemSpider
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