input word = C00059932

Metabolite InformationStructural formula
Name Woodfordin H
Formula C82H54O52
Mw 1870.15811208
CAS RN 143201-47-2
C_ID C00059932
InChIKey ULRBRHNXPNPQPB-UHFFFAOYSA-N
InChICode InChI=1S/C82H54O52/c83-13-41(69(131-73(113)17-1-28(85)50(98)29(86)2-17)67-38(95)16-124-76(116)25-5-19(48(96)62(110)49(25)97)43-20(77(117)129-67)6-32(89)52(100)59(43)107)127-81(121)26-9-34(91)54(102)63(111)65(26)125-39-11-23-45(61(109)57(39)105)44-21(7-33(90)53(101)60(44)108)78(118)130-68(37(94)15-123-75(23)115)70(132-74(114)18-3-30(87)51(99)31(88)4-18)42(14-84)128-82(122)27-10-35(92)55(103)64(112)66(27)126-40-12-24-47-46-22(79(119)134-72(47)58(40)106)8-36(93)56(104)71(46)133-80(24)120/h1-14,37-38,41-42,67-70,85-112H,15-16H2
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC(C(OC(=O)c1cc(O)c(O)c(O)c1)C(C=O)OC(=O)c1cc(O)c(O)c(O)c1Oc1cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c1O)c3c45)C(O)COC2=O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2cc(c(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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