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CHEBI:227079 - Nahuoic acid B

ChEBI IDCHEBI:227079
ChEBI NameNahuoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O8
Net Charge0
Average Mass524.695
Monoisotopic Mass524.33492
SMILESC/C(=C\[C@@H]1[C@H]2[C@@H](C)[C@H](O)[C@H](O)[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/C29H48O8/c1-14(2)24(32)17(5)22(31)13-19(30)9-8-15(3)20-10-11-29(7)23(21(20)12-16(4)28(36)37)18(6)25(33)26(34)27(29)35/h8,10-12,14,17-27,30-35H,9,13H2,1-7H3,(H,36,37)/b15-8+,16-12+/t17-,18+,19-,20-,21-,22+,23+,24-,25-,26-,27+,29-/m0/s1
InChIKeyYJJJQBINOCBMFJ-QAWHKINHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574) - PubMed (26684286)
ChEBI Ontology
Outgoing Relation(s)
Nahuoic acid B (CHEBI:227079) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-[(1S,2R,4aS,5S,6S,7S,8R,8aS)-5,6,7-trihydroxy-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
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