input word = C00000714

Metabolite InformationStructural formula
Name Gomisin E
Formula C28H34O9
Mw 514.22028269
CAS RN 72960-21-5
C_ID C00000714 ,
InChIKey MLGBLGQFPHASJN-HFMOHRODNA-N
InChICode InChI=1S/C28H34O9/c1-13-8-16-9-19-24(36-12-35-19)26-20(16)21-17(10-18(31-5)23(32-6)25(21)33-7)22(15(13)3)37-27(29)28(4,30)14(2)11-34-26/h9-10,13-15,22,30H,8,11-12H2,1-7H3/t13-,14+,15+,22+,28+/m0/s1
SMILES COc1cc2c(c(OC)c1OC)-c1c3cc4c(c1OC[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]2[C@@H](C)[C@@H](C)C3)OCO4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Schizandra sp. Ref.
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