input word = C00054772

Metabolite InformationStructural formula
Name Acutoside G
Formula C68H110O33
Mw 1454.69293604
CAS RN 135545-79-8
C_ID C00054772
InChIKey QWABEDSRNSIDQD-UHFFFAOYSA-N
InChICode InChI=1S/C68H110O33/c1-26-50(96-57-48(85)51(32(74)25-90-57)97-55-45(82)38(75)29(71)22-88-55)52(98-56-46(83)39(76)30(72)23-89-56)49(86)59(92-26)99-53-40(77)31(73)24-91-60(53)101-62(87)68-17-15-63(2,3)19-28(68)27-9-10-36-65(6)13-12-37(64(4,5)35(65)11-14-67(36,8)66(27,7)16-18-68)95-61-54(44(81)42(79)34(21-70)94-61)100-58-47(84)43(80)41(78)33(20-69)93-58/h9,26,28-61,69-86H,10-25H2,1-8H3
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)OC%12OCC(O)C(O)C%12O)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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