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CHEBI:227869 - Engyodontochone A

ChEBI IDCHEBI:227869
ChEBI NameEngyodontochone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O12
Net Charge0
Average Mass616.575
Monoisotopic Mass616.15808
SMILESCOC(=O)[C@]12Oc3cc4c(c(O)c3C(O)=C1C(=O)CC[C@H]2O)[C@H]1C(=O)C2=C(O)c3c(O)cccc3[C@H](OC(C)=O)[C@@]2(C=C1C)C4
InChIInChI=1S/C33H28O12/c1-12-10-32-11-14-9-18-23(29(41)24-17(36)7-8-19(37)33(24,45-18)31(42)43-3)26(38)21(14)20(12)27(39)25(32)28(40)22-15(5-4-6-16(22)35)30(32)44-13(2)34/h4-6,9-10,19-20,30,35,37-38,40-41H,7-8,11H2,1-3H3/t19-,20+,30+,32+,33-/m1/s1
InChIKeyXJLSYLMIJJHRIP-FWBHXZNKSA-N
Species of MetaboliteComponentSourceComments
Engyodontium (ncbitaxon:73873) - PubMed (27098103)
ChEBI Ontology
Outgoing Relation(s)
Engyodontochone A (CHEBI:227869) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (1R,7S,8R,17S,27S)-27-acetyloxy-8,13,15,20,22-pentahydroxy-29-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate