input word = C00032197

Metabolite InformationStructural formula
Name Staminol A
(-)-Staminol A
Formula C40H46O13
Mw 734.29384156
CAS RN 238088-74-9
C_ID C00032197 ,
InChIKey DMMVJHQAIBQUJU-ICSJDGLZNA-N
InChICode InChI=1S/C40H46O13/c1-9-26-29(52-34(44)24-16-12-10-13-17-24)31-38(7)27(20-28(49-21(2)41)40(31,48)36(46)39(26,8)47)37(5,6)32(51-23(4)43)30(50-22(3)42)33(38)53-35(45)25-18-14-11-15-19-25/h9-19,26-33,47-48H,1,20H2,2-8H3/t26-,27-,28+,29+,30-,31+,32+,33-,38-,39-,40-/m0/s1
SMILES C=C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](O)(C(=O)[C@@]1(C)O)[C@H](OC(C)=O)C[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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