input word = C00014565

Metabolite InformationStructural formula
Name Sanggenon S
Formula C40H34O12
Mw 706.20502655
CAS RN 164123-48-2
C_ID C00014565 ,
InChIKey IRBLHGVNLPRRGM-UHFFFAOYNA-N
InChICode InChI=1S/C40H34O12/c1-19(2)10-11-39-36(46)34-32(52-40(39,48)27-9-6-24(43)15-30(27)51-39)16-31(49-37(47)26-8-5-22(41)13-28(26)44)33(35(34)45)21-12-20-17-38(3,18-21)50-29-14-23(42)4-7-25(20)29/h4-10,13-16,18,20,41-45,48H,11-12,17H2,1-3H3/t20-,38+,39+,40+/m1/s1
SMILES CC(C)=CCC12Oc3cc(O)ccc3C1(O)Oc1cc(OC(=O)c3ccc(O)cc3O)c(C3=CC4(C)CC(C3)c3ccc(O)cc3O4)c(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus sp. Ref.
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OrganismMorus sp.
ReferenceHano,Heterocycles,40,(1995),953