input word = C00053728

Metabolite InformationStructural formula
Name Punicatannin C
Formula C31H32O16
Mw 660.16903498
CAS RN 1620439-20-4
C_ID C00053728
InChIKey MWBZMNXBCXXWHD-PKRPVSRNSA-N
InChICode InChI=1S/C31H32O16/c1-42-20-8-12(3-4-17(20)33)27-16(10-32)15-5-13(9-21(43-2)28(15)46-27)29(40)44-11-22-24(37)25(38)26(39)31(45-22)47-30(41)14-6-18(34)23(36)19(35)7-14/h3-9,16,22,24-27,31-39H,10-11H2,1-2H3/t16-,22+,24+,25-,26+,27+,31-/m0/s1
SMILES COc1cc([C@H]2Oc3c(OC)cc(C(=O)OC[C@H]4O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]4O)cc3[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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