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CHEBI:227088 - Nahuoic acid D

ChEBI IDCHEBI:227088
ChEBI NameNahuoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O7
Net Charge0
Average Mass536.750
Monoisotopic Mass536.37130
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[C@@H](O)[C@H](C)[C@@H](O)C(C)C)C(=O)O
InChIInChI=1S/C31H52O7/c1-17(2)29(36)21(6)26(34)16-23(33)15-22(32)10-8-18(3)24-12-13-31(7)27(35)11-9-19(4)28(31)25(24)14-20(5)30(37)38/h8,12-14,17,19,21-29,32-36H,9-11,15-16H2,1-7H3,(H,37,38)/b18-8+,20-14+/t19-,21-,22-,23+,24-,25-,26+,27+,28+,29-,31+/m0/s1
InChIKeyPILPNQGIZUOIFL-XSHQCPMSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SCSGAA 0027 (ncbitaxon:2979574) - PubMed (26684286)
ChEBI Ontology
Outgoing Relation(s)
Nahuoic acid D (CHEBI:227088) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-3-[(1S,2R,4aS,5R,8S,8aR)-5-hydroxy-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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78441608ChemSpider