EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218162 - Calbistrin G

ChEBI IDCHEBI:218162
ChEBI NameCalbistrin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O8
Net Charge0
Average Mass508.652
Monoisotopic Mass508.30362
SMILESC/C(=C\C=C\[C@H](O)[C@@H](C)O)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@](C)(C(=O)C(O)CO)[C@@H]12
InChIInChI=1S/C28H44O8/c1-15-12-20-11-10-17(3)28(6,26(34)22(32)14-29)24(20)23(13-15)36-27(35)18(4)25(33)16(2)8-7-9-21(31)19(5)30/h7-11,15,17-25,29-33H,12-14H2,1-6H3/b9-7+,16-8+/t15-,17+,18+,19-,20+,21+,22?,23+,24-,25+,28+/m1/s1
InChIKeyASHQRLOFJNKMPY-NKJZOWFESA-N
ChEBI Ontology
Outgoing Relation(s)
Calbistrin G (CHEBI:218162) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1S,3R,4aR,7S,8S,8aS)-8-(2,3-dihydroxypropanoyl)-3,7,8-trimethyl-2,3,4,4a,7,8a-hexahydro-1H-naphthalen-1-yl] (2S,3R,4E,6E,8S,9R)-3,8,9-trihydroxy-2,4-dimethyldeca-4,6-dienoate
Manual XrefsDatabases
58132616ChemSpider