input word = C00044308

Metabolite InformationStructural formula
Name Scutelaterin A
(+)-Scutelaterin A
Formula C26H36O9
Mw 492.23593275
CAS RN 212069-15-3
C_ID C00044308 ,
InChIKey QPZJPRFBKONNBN-WANWYGIMNA-N
InChICode InChI=1S/C26H36O9/c1-14-8-22(34-17(4)29)26(13-31-15(2)27)20(10-19(33-16(3)28)11-25(26)12-32-25)24(14,5)21-9-18-6-7-30-23(18)35-21/h6-7,14,18-23H,8-13H2,1-5H3/t14-,18-,19+,20-,21+,22+,23-,24+,25+,26+/m1/s1
SMILES [C@H]1(C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@H]1O[C@@H]3[C@@H](C1)C=CO3)C[C@@H](C[C@]12OC1)OC(=O)C)COC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria lateriflora Ref.
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