input word = C00055483

Metabolite InformationStructural formula
Name Alatanin B
Formula C61H71O34
Mw 1347.38267442
CAS RN 139610-20-1
C_ID C00055483
InChIKey XGIATRRVWDRDPO-UHFFFAOYSA-O
InChICode InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1
SMILES COc1cc(/C=C/C(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(OC6OC(COC(=O)/C=C/c7cc(OC)c(O)c(OC)c7)C(O)C(O)C6O)cc5[o+]c4-c4ccc(O)c(OC5OC(CO)C(O)C(O)C5O)c4)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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