input word = C00041121

Metabolite InformationStructural formula
Name Scutalpin O
Formula C26H40O8
Mw 480.27231825
CAS RN 220831-53-8
C_ID C00041121 ,
InChIKey LRLXFVKMSHWWOB-AGNBISEQNA-N
InChICode InChI=1S/C26H40O8/c1-14(2)22(29)30-13-26-18(7-6-8-25(26)12-31-25)24(5,15(3)9-20(26)32-16(4)27)19-10-17-11-21(28)34-23(17)33-19/h14-15,17-21,23,28H,6-13H2,1-5H3/t15-,17+,18-,19+,20+,21-,23-,24+,25+,26+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3CC(O)O[C@H]3O2)[C@H]2CCC[C@]3(CO3)[C@]12COC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria alpina Ref.
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