input word = C00032522

Metabolite InformationStructural formula
Name Xindongnin B
(-)-Xindongnin B
Formula C22H32O6
Mw 392.21988875
CAS RN 97230-45-0
C_ID C00032522 ,
InChIKey LQXDPFOVHUBZHG-YLKFOZDGNA-N
InChICode InChI=1S/C22H32O6/c1-10-12-8-22(19(10)27)9-13(24)17-20(3,4)14(25)6-7-21(17,5)18(22)16(15(12)26)28-11(2)23/h12-18,24-26H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16+,17-,18+,21-,22+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1[C@@H](O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon melissoides Ref.
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.

Zhao, et al., JNP, 67, (2004), 1441.

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