input word = C00031990

Metabolite InformationStructural formula
Name Lushanrubescensin I
(+)-Lushanrubescensin I
Formula C22H30O7
Mw 406.19915331
CAS RN 640284-53-3
C_ID C00031990 ,
InChIKey JWXPOWPHISXIMI-QDMUSLMYNA-N
InChICode InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)29-12(2)24)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)26/h9,13-18,25-26H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,18-,21+,22-/m1/s1
SMILES [C@]123[C@@H]([C@H](C[C@@H](C(=C)[C@H]1OC(=O)C)C3)O)[C@]1(COC2=O)[C@@H](C(CC[C@@H]1O)(C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var. lushanensis Ref.
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