input word = C00060870

Metabolite InformationStructural formula
Name 30-O-Acetylhainangranatumin E
Formula C29H34O12
Mw 574.20502655
CAS RN 2237974-39-7
C_ID C00060870
InChIKey PRPZQEPQHXFXQN-QGWNYUMWSA-N
InChICode InChI=1S/C29H34O12/c1-13-17(10-20(32)38-6)27(3,4)12-16(23(13)35)25(39-14(2)30)29(37)18-11-22(34)40-24(15-9-21(33)41-26(15)36)28(18,5)8-7-19(29)31/h9,11-13,17,21,24-25,33,37H,7-8,10H2,1-6H3/t13-,17-,21?,24+,25-,28-,29+/m1/s1
SMILES COC(=O)CC1C(C)C(=O)C(C(OC(C)=O)C2(O)C(=O)CCC3(C)C2=CC(=O)OC3C2=CC(O)OC2=O)=CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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