input word = C00042569

Metabolite InformationStructural formula
Name Grayanotoxin III
Formula C20H34O6
Mw 370.23553882
CAS RN 4678-45-9
C_ID C00042569 ,
InChIKey BWMFRQKICHXLSH-FEDMXOLNNA-N
InChICode InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
SMILES [C@@H]12[C@]([C@@H](C[C@@]34[C@H]([C@@]1(C)O)CC[C@@H]([C@](C3)(C)O)[C@H]4O)O)(C([C@H](C2)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle G.Don Ref.
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OrganismRhododendron molle G.Don
ReferenceZhong,J.Nat.Prod.,68,(2005),924