input word = C00033023

Metabolite InformationStructural formula
Name Hemsleyanoside D
Formula C48H42O14
Mw 842.25745605
CAS RN 317820-60-3
C_ID C00033023 ,
InChIKey BMSYJDJSHHZEPU-ZHGSFAEXNA-N
InChICode InChI=1S/C48H42O14/c49-18-33-43(57)45(59)46(60)48(62-33)42-31(56)17-29-39-34(19-1-7-22(50)8-2-19)36-27(13-25(53)15-30(36)55)41-37-28(38(39)35(40(29)44(42)58)20-3-9-23(51)10-4-20)14-26(54)16-32(37)61-47(41)21-5-11-24(52)12-6-21/h1-17,33-35,38-39,41,43,45-60H,18H2/t33-,34-,35-,38+,39-,41-,43-,45+,46-,47+,48+/m1/s1
SMILES OC[C@H]1O[C@@H](c2c(O)cc3c(c2O)[C@H](c2ccc(O)cc2)[C@H]2c4cc(O)cc5c4C(c4cc(O)cc(O)c4[C@@H](c4ccc(O)cc4)[C@H]32)[C@H](c2ccc(O)cc2)O5)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea hemsleyana Ref.
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