input word = C00057690

Metabolite InformationStructural formula
Name Orizalanosterolide A
Formula C36H52O10
Mw 644.35604788
CAS RN 954120-57-1
C_ID C00057690
InChIKey ZOCHMHWUDKRJAP-RFQWPRGRSA-N
InChICode InChI=1S/C36H52O10/c1-19(2)22-8-7-20(30(42)44-22)21-11-13-33(5)25-10-9-24-32(3,4)26(46-31-29(41)28(40)27(39)23(17-37)45-31)12-14-34(24,6)36(25,43)16-15-35(21,33)18-38/h7-8,12,14-16,18-29,31,37,39-41,43H,9-11,13,17H2,1-6H3/t20-,21-,22+,23-,24+,25+,26+,27-,28+,29-,31+,33+,34+,35+,36-/m1/s1
SMILES CC(C)[C@@H]1C=C[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C[C@]5(C)[C@@]4(O)C=C[C@]23C=O)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeOryza sativa Ref.
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