CHEBI:208458 - Nahuoic acid A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nahuoic acid A
ChEBI ID CHEBI:208458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O7
Net Charge 0
Average Mass 522.723
Monoisotopic Mass 522.35565
InChI InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
InChIKey ZNAYXHSDZPSFLO-UWXUHECCSA-N
SMILES O=C(O)/C(=C/[C@H]1[C@@H](C(=C[C@]2([C@@H]1[C@H]([C@H](O)C[C@H]2O)C)C)C)/C(=C/C[C@H](O)C[C@@H](O)[C@@H]([C@@H](O)C(C)C)C)/C)/C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Nahuoic acid A (CHEBI:208458) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(E)-3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-dihydroxy-3,4a,8-trimethyl-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 Xref Database
28466280 ChemSpider
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