input word = C00056788

Metabolite InformationStructural formula
Name Quadranguloside
Formula C54H90O23
Mw 1106.58728918
CAS RN 100182-36-3
C_ID C00056788
InChIKey LDXZNQGPXSJOLI-HCBMXOAHSA-N
InChICode InChI=1S/C54H90O23/c1-24(20-70-46-44(68)40(64)36(60)29(75-46)21-71-47-42(66)38(62)34(58)27(18-56)73-47)7-6-8-25(17-55)26-11-13-52(5)32-10-9-31-50(2,3)33(12-14-53(31)23-54(32,53)16-15-51(26,52)4)77-49-45(69)41(65)37(61)30(76-49)22-72-48-43(67)39(63)35(59)28(19-57)74-48/h7,25-49,55-69H,6,8-23H2,1-5H3/b24-7+
SMILES CC1(C2CCC3C4(CC24CCC1OC5C(O)C(O)C(O)C(COC6OC(CO)C(O)C(O)C6O)O5)CCC7(C)C3(CCC7C(CC/C=C(C)/COC8OC(COC9C(O)C(O)C(O)C(CO)O9)C(O)C(O)C8O)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora quadrangularis Ref.
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