input word = C00040343

Metabolite InformationStructural formula
Name Spicatolide E
(-)-Spicatolide E
Formula C21H28O8
Mw 408.17841787
CAS RN 960510-52-5
C_ID C00040343 ,
InChIKey KQQVPPZTGZRRJD-PIOLMZJSNA-N
InChICode InChI=1S/C21H28O8/c1-6-12(2)17(22)27-15-10-20(4,24)21(25)8-7-19(3,29-21)9-14-16(15)13(11-26-5)18(23)28-14/h6,9,15,24-25H,7-8,10-11H2,1-5H3/b12-6+,14-9+/t15-,19-,20-,21+/m0/s1
SMILES C1[C@@]2([C@@](C[C@@H](C3=C(C(=O)O/C/3=C/[C@](C1)(O2)C)COC)OC(=O)/C(=C/C)/C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pseudolephantopus spicatus Ref.
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