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CHEBI:227093 - Nahuoic acid E

ChEBI IDCHEBI:227093
ChEBI NameNahuoic acid E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O8
Net Charge0
Average Mass552.749
Monoisotopic Mass552.36622
SMILESC/C(=C\[C@@H]1[C@H]2[C@@H](C)[C@H](O)C[C@@H](O)[C@@]2(C)C=C[C@H]1/C(C)=C/C[C@H](O)C[C@@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C)C(=O)O
InChIInChI=1S/C31H52O8/c1-16(2)29(37)20(6)25(34)14-22(33)13-21(32)9-8-17(3)23-10-11-31(7)27(36)15-26(35)19(5)28(31)24(23)12-18(4)30(38)39/h8,10-12,16,19-29,32-37H,9,13-15H2,1-7H3,(H,38,39)/b17-8+,18-12+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28+,29-,31+/m0/s1
InChIKeyAKDLLCSTRRAVPQ-DKHACWNKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574) - PubMed (26684286)
ChEBI Ontology
Outgoing Relation(s)
Nahuoic acid E (CHEBI:227093) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-[(1S,2R,4aS,5R,7R,8R,8aS)-5,7-dihydroxy-4a,8-dimethyl-2-[(E,5S,7R,9R,10S,11S)-5,7,9,11-tetrahydroxy-10,12-dimethyltridec-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methylprop-2-enoic acid
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