input word = C00055482

Metabolite InformationStructural formula
Name Alatanin A
Formula C67H81O39
Mw 1509.43549785
CAS RN 139610-21-2
C_ID C00055482
InChIKey HWNDTEYNINVJQQ-UHFFFAOYSA-O
InChICode InChI=1S/C67H80O39/c1-90-33-11-24(12-34(91-2)45(33)74)5-9-43(72)94-21-40-49(78)54(83)56(85)64(104-40)97-27-16-30(71)28-18-37(61(98-31(28)17-27)26-7-8-29(70)32(15-26)99-65-57(86)52(81)47(76)38(19-68)101-65)100-66-58(87)55(84)50(79)41(105-66)23-96-63-60(89)62(106-67-59(88)53(82)48(77)39(20-69)102-67)51(80)42(103-63)22-95-44(73)10-6-25-13-35(92-3)46(75)36(14-25)93-4/h5-18,38-42,47-60,62-69,76-89H,19-23H2,1-4H3,(H3-,70,71,72,73,74,75)/p+1
SMILES OC1=C(OC)C=C(/C=C/C(OCC2OC(OC3=CC([O+]=C(C4=CC=C(O)C(OC5OC(CO)C(O)C(O)C5O)=C4)C(OC6C(O)C(O)C(O)C(COC7C(O)C(OC8OC(CO)C(O)C(O)C8O)C(O)C(COC(/C=C/C9=CC(OC)=C(O)C(OC)=C9)=O)O7)O6)=C%10)=C%10C(O)=C3)C(O)C(O)C2O)=O)C=C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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