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CHEBI:227879 - Engyodontochone C

Default Structure
ChEBI IDCHEBI:227879
ChEBI NameEngyodontochone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O12
Net Charge0
Average Mass616.575
Monoisotopic Mass616.15808
SMILESCOC(=O)[C@@]1(C2CCC(=O)O2)CC(=O)c2c(cc3c(c2O)[C@H]2C(=O)C4=C(O)c5c(O)cccc5[C@H](OC(C)=O)[C@@]4(C=C2C)C3)O1
InChIInChI=1S/C33H28O12/c1-13-10-32-11-15-9-19-25(18(36)12-33(45-19,31(41)42-3)20-7-8-21(37)44-20)27(38)23(15)22(13)28(39)26(32)29(40)24-16(5-4-6-17(24)35)30(32)43-14(2)34/h4-6,9-10,20,22,30,35,38,40H,7-8,11-12H2,1-3H3/t20?,22-,30-,32-,33-/m0/s1
InChIKeyVWNCQXFDEIIEPZ-ZBXGVZEWSA-N
Species of MetaboliteComponentSourceComments
Engyodontium (ncbitaxon:73873) - PubMed (27098103)
ChEBI Ontology
Outgoing Relation(s)
Engyodontochone C (CHEBI:227879) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
methyl (1R,7S,13S,23S)-23-acetyloxy-11,16,18-trihydroxy-25-methyl-9,14-dioxo-7-(5-oxooxolan-2-yl)-6-oxahexacyclo[11.10.2.01,15.03,12.05,10.017,22]pentacosa-3,5(10),11,15,17(22),18,20,24-octaene-7-carboxylate