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CHEBI:211720 - Conoideocin A

ChEBI IDCHEBI:211720
ChEBI NameConoideocin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O5
Net Charge0
Average Mass434.617
Monoisotopic Mass434.30322
SMILESC=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)C(O)C(C)C)CC[C@]2(C)[C@@H]1CC(=O)O
InChIInChI=1S/C26H42O5/c1-16(2)9-8-13-26(7)20-11-10-18(5)19(15-22(27)28)25(20,6)14-12-21(26)31-24(30)23(29)17(3)4/h9,17,19-21,23,29H,5,8,10-15H2,1-4,6-7H3,(H,27,28)/t19-,20-,21+,23?,25-,26+/m1/s1
InChIKeyLNOXABRKXZUJQU-YRRRMRBKSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2018.01.004)
ChEBI Ontology
Outgoing Relation(s)
Conoideocin A (CHEBI:211720) is a diterpenoid (CHEBI:23849)
IUPAC Name 
2-[(1R,4aR,5S,6S,8aR)-6-(2-hydroxy-3-methylbutanoyl)oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetic acid
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78442416ChemSpider