input word = C00034958

Metabolite InformationStructural formula
Name Rabdoloxin A
Formula C20H28O6
Mw 364.18858863
CAS RN 125484-99-3
C_ID C00034958 ,
InChIKey RAYXYTDTYUFFJV-KWDNXKIPNA-N
InChICode InChI=1S/C20H28O6/c1-9-12-13(23)14(24)15-19(3)6-4-5-18(2,8-21)10(19)7-11(22)20(15,16(9)25)17(12)26/h10-13,15,17,21-23,26H,1,4-8H2,2-3H3/t10-,11-,12-,13-,15+,17-,18-,19-,20-/m1/s1
SMILES C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4[C@@](C)(CO)CCC[C@@]4(C)[C@@H]2C(=O)[C@H](O)[C@@H]1[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon laxathyrsa Ref.
PlantaeLabiataeIsodon phyllostachys Ref.
PlantaeLabiataeIsodon scoparius Ref.
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OrganismIsodon laxathyrsa
ReferenceSun, et al., Diterpenoids from Isodon Species, Science Press, Beijing, (2001)