input word = C00032626

Metabolite InformationStructural formula
Name 28-O-beta-D-glucopyranosyl-6beta,23-dihydroxytormentic acid
Formula C36H58O12
Mw 682.39282732
CAS RN 151676-27-6
C_ID C00032626 ,
InChIKey MRXKQBFJEXAWOG-IOLMECTCNA-N
InChICode InChI=1S/C36H58O12/c1-17-9-10-36(30(45)48-29-25(43)24(42)23(41)21(15-37)47-29)12-11-33(4)18(26(36)35(17,6)46)7-8-22-31(2)13-20(40)28(44)32(3,16-38)27(31)19(39)14-34(22,33)5/h7,17,19-29,37-44,46H,8-16H2,1-6H3/t17-,19-,20-,21-,22-,23-,24+,25-,26+,27-,28+,29+,31-,32+,33-,34-,35-,36+/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](C[C@H]2O)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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