input word = C00021687

Metabolite InformationStructural formula
Name Salonitenolide 8-O-acetyl sarracinate
Formula C22H28O6
Mw 388.18858863
CAS RN 112356-30-6
C_ID C00021687 ,
InChIKey BWEDGPMGFLZDML-BNFXXGFBNA-N
InChICode InChI=1S/C22H28O6/c1-6-17(12-26-16(5)23)22(25)28-19-11-14(3)9-7-8-13(2)10-18-20(19)15(4)21(24)27-18/h6,9-10,18-20,23H,4-5,7-8,11-12H2,1-3H3/b13-10+,14-9+,17-6-/t18-,19+,20+/m1/s1
SMILES C1C/C(=C/[C@@H]2[C@@H]([C@H](C/C(=C/1)/C)OC(=O)/C(=C\C)/COC(=C)O)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachylaena neriifolia Ref.
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OrganismBrachylaena neriifolia
ReferenceZdero,Phytochem.,26,(1987),2597