input word = C00046334

Metabolite InformationStructural formula
Name Punicafolin
Formula C41H30O26
Mw 938.10253114
CAS RN 88847-11-4
C_ID C00046334 ,
InChIKey DPBVYZVSXAZMAY-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)64-33-23-9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(8-22(49)30(54)32(25)56)40(61)65-34(33)35(66-37(58)11-3-17(44)27(51)18(45)4-11)41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35+,41+/m0/s1
SMILES c1(c(c(cc2c1c1c(C(=O)O[C@H]3[C@H]([C@H](O[C@@H](COC2=O)[C@@H]3OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2cc(c(c(c2)O)O)O)cc(c(c1O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeLythraceaePunica granatum L. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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OrganismMallotus japonicus
ReferenceChen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Zhang, et al., JNP, 64, (2001), 1527