input word = C00031313

Metabolite InformationStructural formula
Name Schisanterpene B
(+)-Schisanterpene B
Formula C27H40O4
Mw 428.29265977
CAS RN 897928-99-3
C_ID C00031313 ,
InChIKey AMXFRRZRLVMMCY-QWPLWXHDNA-N
InChICode InChI=1S/C27H40O4/c1-22(2)18-14-16(28)21-24(4)9-6-17(25(5)10-8-20(30)31-25)23(24,3)12-13-27(21)15-26(18,27)11-7-19(22)29/h16-18,21,28H,6-15H2,1-5H3/t16-,17-,18-,21-,23+,24-,25-,26+,27?/m0/s1
SMILES C1C(=O)C([C@H]2[C@]3(C1)[C@@]1([C@@H]([C@H](C2)O)[C@]2([C@](CC1)([C@H](CC2)[C@]1(OC(=O)CC1)C)C)C)C3)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeSchisandra propinqua (WALL.) BAILL Ref.
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