input word = C00003510

Metabolite InformationStructural formula
Name Colubrin
Formula C48H76O18
Mw 940.50316563
CAS RN 87834-09-1
C_ID C00003510 ,
InChIKey ZIUOAVDHMLNSNY-PMGCRKKVNA-N
InChICode InChI=1S/C48H76O18/c1-22(2)15-24-16-46(8,57)39-25-9-10-30-44(6)13-12-31(43(4,5)29(44)11-14-45(30,7)47(25)20-48(39,66-24)60-21-47)63-41-38(61-23(3)50)36(27(52)19-59-41)64-42-37(34(55)33(54)28(17-49)62-42)65-40-35(56)32(53)26(51)18-58-40/h15,24-42,49,51-57H,9-14,16-21H2,1-8H3/t24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44-,45+,46-,47-,48-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]23[C@H](CC1)[C@@H]1[C@@](OC2)(O[C@H](C[C@@]1(O)C)C=C(C)C)C3)C)C)(C)C)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeColubrina asiatica Ref.
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