input word = C00054769

Metabolite InformationStructural formula
Name Acutoside D
Formula C63H102O29
Mw 1322.6506773
CAS RN 135575-16-5
C_ID C00054769
InChIKey GGJRZIMZYBAXEM-UHFFFAOYSA-N
InChICode InChI=1S/C63H102O29/c1-25-47(88-52-46(79)48(30(68)24-82-52)89-51-43(76)36(69)28(66)22-81-51)42(75)45(78)53(84-25)90-49-37(70)29(67)23-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(41(74)39(72)32(21-65)86-56)91-54-44(77)40(73)38(71)31(20-64)85-54/h9,25,27-56,64-79H,10-24H2,1-8H3
SMILES CC12CCC3(CCC(C)(C)CC3C1=CCC4C(C5CCC42C)(C)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C(OC8C(OC9C(C(C(C(O9)C)OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)O)O)C(O)C(O)CO8)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa acutangula Ref.
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