input word = C00058738

Metabolite InformationStructural formula
Name Stigmast-4-en-3-one 1-O-ethyl-beta-D-glucopyranoside tetraacetate
Formula C45H70O12
Mw 802.4867277
CAS RN 166824-23-3
C_ID C00058738
InChIKey HPDVEBNRVKXTRO-JBDDXAANSA-N
InChICode InChI=1S/C45H70O12/c1-11-31(25(2)3)13-12-26(4)35-16-17-36-34-15-14-32-22-33(50)23-39(45(32,10)37(34)18-19-44(35,36)9)51-20-21-52-43-42(56-30(8)49)41(55-29(7)48)40(54-28(6)47)38(57-43)24-53-27(5)46/h22,25-26,31,34-43H,11-21,23-24H2,1-10H3/t26-,31-,34+,35-,36+,37+,38-,39?,40-,41+,42-,43-,44-,45+/m1/s1
SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(OCCO[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros rhodocalyx Ref.
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