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CHEBI:208181 - Elansolid A

ChEBI IDCHEBI:208181
ChEBI NameElansolid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48O6
Net Charge0
Average Mass588.785
Monoisotopic Mass588.34509
SMILESCC1=C[C@@H]2[C@@H]([C@@H]3C(c4ccc(O)cc4)OC(=O)/C=C/C(C)=C/C[C@@H](O)[C@@H](C)[C@H](O)/C=C\C=C\C=C/[C@@H]13)C(C)(C)C[C@@]2(C)O
InChIInChI=1S/C37H48O6/c1-23-13-19-31(40)25(3)30(39)12-10-8-7-9-11-28-24(2)21-29-34(36(4,5)22-37(29,6)42)33(28)35(43-32(41)20-14-23)26-15-17-27(38)18-16-26/h7-18,20-21,25,28-31,33-35,38-40,42H,19,22H2,1-6H3/b8-7+,11-9-,12-10-,20-14+,23-13+/t25-,28-,29+,30+,31+,33+,34-,35?,37+/m0/s1
InChIKeyNTNBXVJSAMSCRI-DJBQPULXSA-N
Species of MetaboliteComponentSourceComments
Chitinophaga sancti (ncbitaxon:1004) - PubMed (21154488)
ChEBI Ontology
Outgoing Relation(s)
Elansolid A (CHEBI:208181) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,2Z,4E,6Z,8R,9R,10R,12E,14E,19S,20R,23R,24R)-8,10,23-trihydroxy-18-(4-hydroxyphenyl)-9,13,21,21,23,26-hexamethyl-17-oxatricyclo[17.7.0.020,24]hexacosa-2,4,6,12,14,25-hexaen-16-one