input word = C00049647

Metabolite InformationStructural formula
Name Lungshengenin A
Formula C26H36O9
Mw 492.23593275
CAS RN 118045-37-7
C_ID C00049647 ,
InChIKey HITVPQQHAXTJAC-YKZYQCLVNA-N
InChICode InChI=1S/C26H36O9/c1-11-15-8-17(33-12(2)27)20-25(7)19(16(30)10-26(20,9-15)21(11)31)24(5,6)23(35-14(4)29)18(22(25)32)34-13(3)28/h15-20,22-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,22+,23+,25-,26+/m1/s1
SMILES C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]1(C)[C@H]([C@@H](O)C3)C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon lungshengensis Ref.
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OrganismIsodon lungshengensis
ReferenceJiang,J.Nat.Prod.,62,(1999),941