input word = C00032526

Metabolite InformationStructural formula
Name Xindongnin K
(-)-Xindongnin K
Formula C21H32O6
Mw 380.21988875
CAS RN 769923-95-7
C_ID C00032526 ,
InChIKey SWOWNYLHRGSEJD-XJYVKKMFNA-N
InChICode InChI=1S/C21H32O6/c1-19(2)13(23)5-6-20(3)15-12(22)7-10-8-21(15,17(25)11(10)9-27-4)18(26)14(24)16(19)20/h10-13,15-16,18,22-23,26H,5-9H2,1-4H3/t10-,11-,12+,13+,15+,16-,18+,20+,21+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H](C2=O)O)C[C@@H](C[C@@H]1O)[C@H](C3=O)COC)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon rubescens var. rubescens Ref.
PlantaeLamiaceaeRabdosia rubescens Ref.
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OrganismRabdosia rubescens
ReferenceHAN, et al., Chem Pharm Bull, 52, (2004), 767