input word = C00041116

Metabolite InformationStructural formula
Name Scutalpin E
Formula C29H40O10
Mw 548.2621475
CAS RN 155662-27-4
C_ID C00041116 ,
InChIKey FDMQUGDKBVYERN-REZTVBANNA-N
InChICode InChI=1S/C29H40O10/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/h7,20,22-23H,8-16H2,1-6H3/b17-7+/t20-,22+,23-,25+,26-,27+,28-,29-/m0/s1
SMILES C1C[C@@]2([C@]3([C@@H](C1)[C@@]1([C@]([C@@H]([C@@H]3OC(=O)/C(=C/C)/C)OC(=O)C)(O[C@@]3(CC1)COC(=O)C3)C)C)COC(=O)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria alpina Ref.
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