input word = C00023434

Metabolite InformationStructural formula
Name Diasin
Formula C21H24O7
Mw 388.15220312
CAS RN 70447-99-3
C_ID C00023434 ,
InChIKey ZGRXZVQQLDOVAT-UUBKVUNCNA-N
InChICode InChI=1S/C21H24O7/c1-20(18(23)25-2)6-3-4-12-13(20)8-14-16-17(22)27-15(11-5-7-26-10-11)9-21(12,16)19(24)28-14/h5,7,10,12-16H,3-4,6,8-9H2,1-2H3/t12-,13-,14?,15+,16?,20+,21+/m1/s1
SMILES C1C[C@]([C@H]2[C@@H](C1)[C@@]13[C@H]([C@H](C2)OC1=O)C(=O)O[C@@H](C3)c1cocc1)(C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton diasii Ref.
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