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 CC(=O)OC1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@]7(C[C@@]5(CO7)[C@]4(C)CC[C@H]3C2(C)C)O[C@@H](C=C(C)C)C[C@]6(C)O)OC[C@H](O)[C@@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeColubrina asiatica Ref.
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