input word = C00041115

Metabolite InformationStructural formula
Name Scutalpin A
Formula C29H42O10
Mw 550.27779756
CAS RN 152110-20-8
C_ID C00041115 ,
InChIKey AQVZDJYNIRKSER-UHFFFAOYNA-N
InChICode InChI=1S/C29H42O10/c1-7-17(2)24(33)38-23-22(37-19(4)31)26(6)25(5,11-12-27(39-26)13-21(32)35-14-27)20-9-8-10-28(15-36-28)29(20,23)16-34-18(3)30/h17,20,22-23H,7-16H2,1-6H3/t17-,20-,22+,23+,25+,26-,27-,28-,29-/m0/s1
SMILES CCC(C)C(=O)OC1C(OC(C)=O)C2(C)OC3(CCC2(C)C2CCCC4(CO4)C12COC(C)=O)COC(=O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria alpina Ref.
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