input word = C00064257

Metabolite InformationStructural formula
Name Arjunin
Formula C41H26O26
Mw 934.07123101
CAS RN 2874197-68-7
C_ID C00064257
InChIKey BQJLRFQOJZNELD-FNFXDCFUSA-N
InChICode InChI=1S/C41H26O26/c42-9-1-6(2-10(43)22(9)46)36(56)67-35-31(55)41(61)63-13-5-62-37(57)7-3-11(44)23(47)25(49)14(7)16-20-18-19-21(40(60)66-33(18)29(53)27(16)51)17(28(52)30(54)34(19)65-39(20)59)15-8(38(58)64-32(13)35)4-12(45)24(48)26(15)50/h1-4,13,31-32,35,41-55,61H,5H2/t13-,31-,32-,35-,41?/m1/s1
SMILES O=C(OC1C(O)C(O)OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OC21)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia arjuna Ref.
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