input word = C00046212

Metabolite InformationStructural formula
Name Norstaminone A
Formula C30H36O9
Mw 540.23593275
CAS RN 344948-52-3
C_ID C00046212 ,
InChIKey PHXNLVUWPCOMGG-IIDAUZIINA-N
InChICode InChI=1S/C30H36O9/c1-8-19(16(2)31)14-21-24(34)22(37-17(3)32)15-23-29(5,6)26(35)25(38-18(4)33)27(30(21,23)7)39-28(36)20-12-10-9-11-13-20/h8-14,21-23,25-27,35H,1,15H2,2-7H3/b19-14+/t21-,22+,23-,25-,26+,27-,30-/m0/s1
SMILES C=C/C(=C[C@H]1C(=O)[C@H](OC(C)=O)C[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]12C)C(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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