input word = C00021034

Metabolite InformationStructural formula
Name Hymenoratin B 2-O-[6'-O-acetyl-beta-D-glucopyranoside]
Formula C28H42O12
Mw 570.26762681
CAS RN
C_ID C00021034 ,
InChIKey WPEXBINRRGEXCJ-PTTQRLMWNA-N
InChICode InChI=1S/C28H42O12/c1-7-12(2)24(33)40-27-28(6)9-16-14(4)25(34)37-17(16)8-13(3)20(28)18(10-36-27)38-26-23(32)22(31)21(30)19(39-26)11-35-15(5)29/h12-13,16-23,26-27,30-32H,4,7-11H2,1-3,5-6H3/t12-,13-,16-,17+,18+,19-,20-,21-,22+,23-,26-,27+,28+/m1/s1
SMILES [C@@H]12[C@@](C[C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)(C)[C@@H](OC[C@@H]2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)OC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys lemmonii Ref.
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OrganismHymenoxys lemmonii
ReferenceGao,Phytochem.,29,(1990),1601