input word = C00044982

Metabolite InformationStructural formula
Name Orthosiphol Y
(-)-Orthosiphol Y
Formula C24H32O8
Mw 448.209718
CAS RN 502915-00-6
C_ID C00044982 ,
InChIKey HPYXDZBUORPUPP-LPAMLJOLNA-N
InChICode InChI=1S/C24H32O8/c1-8-22(6)10-14(27)18-23(7)11-15(31-12(2)25)19(28)21(4,5)16(23)9-17(32-13(3)26)24(18,30)20(22)29/h8,11,14,16-18,27,30H,1,9-10H2,2-7H3/t14-,16+,17-,18-,22+,23+,24+/m1/s1
SMILES C=C[C@@]1(C)C[C@@H](O)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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