input word = C00043416

Metabolite InformationStructural formula
Name Crotinsularin
((-)-Crotinsularin
Formula C20H28O4
Mw 332.19875938
CAS RN 677331-35-0
C_ID C00043416 ,
InChIKey ZHETXDMTDBQVIV-WAYNZCPLNA-N
InChICode InChI=1S/C20H28O4/c1-13-6-8-18(2)16(4-5-17(21)19(18,3)22)20(13)10-15(24-12-20)14-7-9-23-11-14/h7,9-11,13,16-17,21-22H,4-6,8,12H2,1-3H3/t13-,16+,17-,18-,19+,20+/m1/s1
SMILES C1[C@H]([C@@]([C@]2([C@H](C1)[C@@]1([C@@H](CC2)C)C=C(OC1)c1cocc1)C)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton insularis Ref.
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