EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227084 - Nahuoic acid C

ChEBI IDCHEBI:227084
ChEBI NameNahuoic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O6
Net Charge0
Average Mass492.697
Monoisotopic Mass492.34509
SMILESC/C(=C\[C@@H]1[C@H]2[C@@H](C)CC[C@@H](O)[C@@]2(C)C=C[C@H]1/C(C)=C/C[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C)C(=O)O
InChIInChI=1S/C29H48O6/c1-16(2)27(33)20(6)24(31)15-21(30)10-8-17(3)22-12-13-29(7)25(32)11-9-18(4)26(29)23(22)14-19(5)28(34)35/h8,12-14,16,18,20-27,30-33H,9-11,15H2,1-7H3,(H,34,35)/b17-8+,19-14+/t18-,20-,21-,22-,23-,24+,25+,26+,27-,29+/m0/s1
InChIKeyXGCLWUDSOKKOLH-AHRQGBGHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574) - PubMed (26684286)
ChEBI Ontology
Outgoing Relation(s)
Nahuoic acid C (CHEBI:227084) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-[(1S,2R,4aS,5R,8S,8aR)-5-hydroxy-4a,8-dimethyl-2-[(E,5S,7R,8S,9S)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methylprop-2-enoic acid
Manual XrefsDatabases
78441607ChemSpider