input word = C00003706

Metabolite InformationStructural formula
Name Chaparrin
Formula C20H28O7
Mw 380.18350325
CAS RN 4616-50-6
C_ID C00003706 ,
InChIKey SYRCAVSNPCUQCQ-KSMOEWAHNA-N
InChICode InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1
SMILES CC1=C[C@H](O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)C[C@H]5[C@@H](C)[C@H]4O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeCastela nicholsonii Ref.
--Simba cedron Ref.
zoom in