input word = C00032521

Metabolite InformationStructural formula
Name Xindongnin A
(-)-Xindongnin A
Formula C24H32O7
Mw 432.21480338
CAS RN 97230-44-9
C_ID C00032521 ,
InChIKey CSRIDJYCMMMNHL-UBZPWVKRNA-N
InChICode InChI=1S/C24H32O7/c1-11-14-9-15(27)18-23(6)8-7-16(30-12(2)25)22(4,5)19(23)17(28)21(31-13(3)26)24(18,10-14)20(11)29/h14-16,18-19,21,27H,1,7-10H2,2-6H3/t14-,15+,16+,18+,19-,21+,23+,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H](C2=O)OC(=O)C)C[C@@H](C[C@@H]1O)C(=C)C3=O)C)(C)C)OC(=O)C
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
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001).

HAN, et al., Chem Pharm Bull, 52, (2004), 767.

Han, et al., Planta Med, 70, (2004), 269