input word = C00055475

Metabolite InformationStructural formula
Name Agavoside G
Formula C62H102O33
Mw 1374.63033579
CAS RN 58546-20-6
C_ID C00055475
InChIKey VNKZIQXLEDWOGO-UHFFFAOYSA-N
InChICode InChI=1S/C62H102O33/c1-21(19-83-54-46(78)42(74)39(71)31(15-63)87-54)8-11-62(82)22(2)36-30(95-62)13-28-26-7-6-24-12-25(9-10-60(24,4)27(26)14-35(68)61(28,36)5)86-57-48(80)43(75)50(33(17-65)89-57)91-58-49(81)44(76)51(34(18-66)90-58)92-59-53(94-55-45(77)38(70)29(67)20-84-55)52(40(72)32(16-64)88-59)93-56-47(79)41(73)37(69)23(3)85-56/h21-34,36-59,63-67,69-82H,6-20H2,1-5H3
SMILES CC12C(C3CCC4CC(CCC4(C3CC2=O)C)OC5C(O)C(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC9C(O)C(O)C(O)CO9)C(O)C6O)C(CO)O5)CC%10C1C(C(CCC(C)COC%11C(O)C(O)C(O)C(CO)O%11)(O)O%10)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
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