input word = C00037717

Metabolite InformationStructural formula
Name Rabdoternin D
(-)-Rabdoternin D
Formula C22H32O7
Mw 408.21480338
CAS RN 155969-81-6
C_ID C00037717 ,
InChIKey SCQGHCFEGSHMDK-DNKIFYPHNA-N
InChICode InChI=1S/C22H32O7/c1-10-12-8-13(24)14-20-7-5-6-19(3,4)15(20)18(29-11(2)23)22(27,28-9-20)21(14,16(10)25)17(12)26/h12-18,24-27H,1,5-9H2,2-4H3/t12?,13-,14-,15+,16+,17+,18-,20-,21+,22+/m0/s1
SMILES C1CC([C@@H]2[C@]3(C1)[C@H]1[C@@]4([C@]([C@H]2OC(=O)C)(O)OC3)[C@@H](C(=C)[C@H](C[C@@H]1O)[C@H]4O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon ternifolia Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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