input word = C00050992

Metabolite InformationStructural formula
Name Isorosmaricine
Formula C20H27NO4
Mw 345.19400836
CAS RN 33947-58-9
C_ID C00050992
InChIKey NFXKGLBUURRKEA-ZXNLCNCINA-N
InChICode InChI=1S/C20H27NO4/c1-9(2)10-8-11-12(15(23)14(10)22)20-7-5-6-19(3,4)17(20)16(13(11)21)25-18(20)24/h8-9,13,16-17,22-23H,5-7,21H2,1-4H3/t13-,16+,17-,20?/m0/s1
SMILES CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2N
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis Ref.
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