input word = C00050226

Metabolite InformationStructural formula
Name Scupontin D
(-)-Scupontin D
Formula C32H48O13
Mw 640.30949162
CAS RN 188846-85-7
C_ID C00050226 ,
InChIKey SBFVLEKYZPNMID-JGTWEONBNA-N
InChICode InChI=1S/C32H48O13/c1-16-7-25(43-20(5)34)32(15-39-26(36)8-18(3)42-27(37)9-17(2)41-19(4)33)23(12-22(35)13-31(32)14-40-31)30(16,6)24-10-21-11-28(38)45-29(21)44-24/h16-18,21-25,28-29,35,38H,7-15H2,1-6H3/t16-,17+,18+,21+,22-,23-,24+,25+,28+,29-,30+,31+,32+/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]1C[C@@H]3[C@H](O1)O[C@@H](C3)O)C[C@H](C[C@]12OC1)O)COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria pontica Ref.
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