input word = C00040551

Metabolite InformationStructural formula
Name Trichoside A
Formula C48H74O20
Mw 970.47734481
CAS RN 33289-66-6
C_ID C00040551 ,
InChIKey BGLYCORFWPWMPL-UHFFFAOYNA-N
InChICode InChI=1S/C48H74O20/c1-43(2)13-15-48(42(62)68-40-33(57)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-35(59)36(34(58)37(67-41)38(60)61)66-39-32(56)30(54)28(52)23(18-49)63-39/h7,20,22-37,39-41,49-50,52-59H,8-19H2,1-6H3,(H,60,61)/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36-,37-,39+,40-,41+,44+,45-,46+,47-,48-/m1/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)CO)O)O)O)C)C)C)(C)C=O)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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