input word = C00061831

Metabolite InformationStructural formula
Name Norstaminol B
Formula C37H44O13
Mw 696.27819149
CAS RN 460741-45-1
C_ID C00061831
InChIKey GXKFNMIKBKSMLQ-UPAQOOKSSA-N
InChICode InChI=1S/C37H44O13/c1-19(38)46-25-17-24-34(3,4)30(41)28(47-20(2)39)31(49-33(43)22-15-11-8-12-16-22)35(24,5)29-27(48-32(42)21-13-9-7-10-14-21)26-23(40)18-45-36(26,6)50-37(25,29)44/h7-16,23-31,40-41,44H,17-18H2,1-6H3/t23-,24+,25-,26+,27-,28+,29-,30-,31+,35+,36-,37+/m1/s1
SMILES CC(=O)OC1C(O)C(C)(C)C2CC(OC(C)=O)C3(O)OC4(C)OCC(O)C4C(OC(=O)c4ccccc4)C3C2(C)C1OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
zoom in