input word = C00009366

Metabolite InformationStructural formula
Name Guavin D
Formula C51H38O29
Mw 1114.14987526
CAS RN 107937-15-5
C_ID C00009366 ,
InChIKey NCAYOGILTZXFSF-BPEWZMFJNA-N
InChICode InChI=1S/C51H38O29/c1-11(52)75-25-10-74-46(67)14-6-21(57)34(61)37(64)26(14)27-15(7-22(58)35(62)38(27)65)47(68)77-41(25)44-43-30(29-20(56)9-18(54)13-5-24(60)39(76-40(13)29)12-2-3-17(53)19(55)4-12)31-32(49(70)78-43)33-28-16(48(69)79-44)8-23(59)36(63)42(28)80-51(33,73)50(71,72)45(31)66/h2-4,6-9,24-25,30,33,39,41,43-44,53-65,71-73H,5,10H2,1H3/t24-,25-,30+,33-,39-,41+,43+,44-,51-/m0/s1
SMILES [C@H]1([C@H]2[C@H]3[C@@H](C4=C([C@@H]5c6c(C(=O)O2)cc(c(c6O[C@@]5(C(C4=O)(O)O)O)O)O)C(=O)O3)c2c(cc(c3c2O[C@H]([C@H](C3)O)c2cc(c(cc2)O)O)O)O)[C@@H](OC(=O)C)COC(=O)c2c(c(c(c(c2)O)O)O)c2c(cc(c(c2O)O)O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaePsidium guajava Ref.
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