input word = C00003412

Metabolite InformationStructural formula
Name Cascarillin
Formula C22H32O7
Mw 408.21480338
CAS RN 10118-56-6
C_ID C00003412 ,
InChIKey ZOWKQQIGQBVKSV-OOFLJXLVNA-N
InChICode InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22+/m1/s1
SMILES C1[C@H]([C@]([C@]2([C@H](C1)[C@]([C@@H]([C@@H](C2)OC(=O)C)C)(C=O)C[C@H](c1cocc1)O)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton eleuteria Ref.
PlantaeEuphorbiaceaeCroton eluteria Ref.
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