input word = C00040552

Metabolite InformationStructural formula
Name Trichoside C
Formula C60H94O28
Mw 1262.59316242
CAS RN 35610-16-3
C_ID C00040552 ,
InChIKey IPDFUGNLRJRAPW-UHFFFAOYNA-N
InChICode InChI=1S/C60H94O28/c1-23-45(85-51-38(70)34(66)32(64)27(20-61)81-51)36(68)40(72)49(79-23)84-44-24(2)80-50(41(73)37(44)69)88-54(78)60-17-15-55(3,4)19-26(60)25-9-10-30-56(5)13-12-31(57(6,22-63)29(56)11-14-59(30,8)58(25,7)16-18-60)83-53-43(75)46(42(74)47(87-53)48(76)77)86-52-39(71)35(67)33(65)28(21-62)82-52/h9,22-24,26-47,49-53,61-62,64-75H,10-21H2,1-8H3,(H,76,77)/t23-,24-,26-,27-,28-,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+,46-,47+,49-,50-,51+,52+,53+,56+,57+,58+,59+,60+/m0/s1
SMILES CC1OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila trichotoma Ref.
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OrganismGypsophila trichotoma
ReferenceTan,Phytochem.,52,(1999),153