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 C1[C@H]([C@@]([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O)O)O)O)C)C)C)(C=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila trichotoma Ref.
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