EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222147 - Grincamycin P

ChEBI IDCHEBI:222147
ChEBI NameGrincamycin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O14
Net Charge0
Average Mass714.761
Monoisotopic Mass714.28876
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)c3ccc(C[C@@](C)(O)CC(=O)O)c(O)c3C4=O)O[C@@H]2C)CC[C@@H]1O[C@H]1CC[C@H](O)[C@H](C)O1
InChIInChI=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
InChIKeyWSVOTZGNSOTMOU-GIFAYICHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33899471)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
109107863ChemSpider