input word = C00043875

Metabolite InformationStructural formula
Name Riisein B
(-)-Riisein B
Formula C36H60O10
Mw 652.41864814
CAS RN 297764-85-3
C_ID C00043875 ,
InChIKey WHLJRKVSRAHTRJ-QBYSHACRNA-N
InChICode InChI=1S/C36H60O10/c1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(39)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-32(41)31(40)29(19-44-33)45-23(4)38/h20-21,24-33,39-42H,7-19H2,1-6H3/t20-,21-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+/m1/s1
SMILES CC(=O)OCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O[C@@H]5OC[C@@H](OC(C)=O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Carijoa riisei Ref.
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