input word = C00044983

Metabolite InformationStructural formula
Name Orthosiphol Z
(-)-Orthosiphol Z
Formula C22H28O7
Mw 404.18350325
CAS RN 502915-02-8
C_ID C00044983 ,
InChIKey BPJCFHARVKYGQI-GGQLTXABNA-N
InChICode InChI=1S/C22H28O7/c1-7-20(5)9-12(24)16-21(6)10-13(29-11(2)23)17(26)19(3,4)14(21)8-15(25)22(16,28)18(20)27/h7,10,14-16,25,28H,1,8-9H2,2-6H3/t14-,15+,16+,20-,21-,22-/m0/s1
SMILES C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]2(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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