input word = C00003536

Metabolite InformationStructural formula
Name Olaxoside
Formula C48H76O18
Mw 940.50316563
CAS RN 80135-33-7
C_ID C00003536 ,
InChIKey FWGUQBCYEUGRPQ-MFBHMTTHNA-N
InChICode InChI=1S/C48H76O18/c1-21-28(50)30(52)33(55)39(61-21)64-36-32(54)35(57)41(65-37(36)38(58)59)63-27-12-13-45(6)25(44(27,4)5)11-14-47(8)26(45)10-9-22-23-19-43(2,3)15-17-48(23,18-16-46(22,47)7)42(60)66-40-34(56)31(53)29(51)24(20-49)62-40/h9,21,23-37,39-41,49-57H,10-20H2,1-8H3,(H,58,59)/t21-,23+,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,39+,40+,41+,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[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOlacaceaeOlax andronensis Ref.
PlantaeOlacaceaeOlax glabriflora Ref.
PlantaeOlacaceaeOlax psittacorum Ref.
PlantaeOlacaceaeOlax psitticorum Ref.
PlantaeOlacaceaeOlax sp. Ref.
PlantaeOlacaceaeOlax spp. Ref.
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