input word = C00034959

Metabolite InformationStructural formula
Name Rabdoloxin B
Formula C20H30O5
Mw 350.20932407
CAS RN 125456-65-7
C_ID C00034959 ,
InChIKey KULWEPZCKNERAS-BCUSEMNRNA-N
InChICode InChI=1S/C20H30O5/c1-9-12-13(22)14(23)15-19(4)7-5-6-18(2,3)10(19)8-11(21)20(15,16(9)24)17(12)25/h10-15,17,21-23,25H,1,5-8H2,2-4H3/t10-,11-,12+,13-,14+,15+,17-,19-,20-/m1/s1
SMILES C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2[C@@H](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)