EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222165 - Grincamycin S

ChEBI IDCHEBI:222165
ChEBI NameGrincamycin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O15
Net Charge0
Average Mass730.760
Monoisotopic Mass730.28367
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O)C[C@H](c3ccc4c(c3O)C(=O)c3c(O)cc(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/C37H46O15/c1-15-21(38)7-9-27(49-15)51-24-8-10-28(50-16(24)2)52-36-17(3)48-25(12-23(36)40)19-5-6-20-29(33(19)44)35(46)30-22(39)11-18(32(43)31(30)34(20)45)13-37(4,47)14-26(41)42/h5-6,11,15-17,21,23-25,27-28,36,38-40,43-44,47H,7-10,12-14H2,1-4H3,(H,41,42)/t15-,16-,17+,21-,23+,24-,25+,27-,28-,36+,37+/m0/s1
InChIKeyKXNZPTIUEMSIAF-LKDKSNFDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33899471)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin S (CHEBI:222165) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R)-3-hydroxy-3-methyl-4-[1,4,5-trihydroxy-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]butanoic acid
Manual XrefsDatabases
109107866ChemSpider