input word = C00060867

Metabolite InformationStructural formula
Name Xylogranatumin A
Formula C31H40O12
Mw 604.25197674
CAS RN 2237974-36-4
C_ID C00060867
InChIKey NFVSJGMMXFNNGF-MOYWKFCKSA-N
InChICode InChI=1S/C31H40O12/c1-15-19(12-21(34)37-7)27(4,5)25(39-16(2)32)23-26(40-17(3)33)30-20-13-22(35)41-24(18-8-11-38-14-18)28(20,6)9-10-29(30,36)42-31(15,23)43-30/h8,11,14-15,19-20,23-26,36H,9-10,12-13H2,1-7H3/t15-,19-,20-,23-,24+,25-,26+,28-,29+,30+,31-/m1/s1
SMILES COC(=O)CC1C(C)C23OC4(O)CCC5(C)C(c6ccoc6)OC(=O)CC5C4(O2)C(OC(C)=O)C3C(OC(C)=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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