input word = C00048563

Metabolite InformationStructural formula
Name Wikstroemioidin B
Formula C23H34O6
Mw 406.23553882
CAS RN 152511-36-9
C_ID C00048563 ,
InChIKey SWSXUNGOPTYIGL-NAYDVACFNA-N
InChICode InChI=1S/C23H34O6/c1-11-12-8-13-15-21-10-27-23(26,22(15,9-12)17(11)24)18(25)16(21)19(2,3)7-6-14(21)29-20(4,5)28-13/h12-18,24-26H,1,6-10H2,2-5H3/t12-,13+,14+,15+,16-,17-,18+,21+,22+,23-/m1/s1
SMILES [C@@H]12[C@@H]3[C@@]4([C@@H](C(=C)[C@H](C1)C4)O)[C@]1([C@H]([C@H]4[C@]3([C@@H](OC(O2)(C)C)CCC4(C)C)CO1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sinuolata Ref.
PlantaeLabiataeIsodon wikstroemioides Ref.
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