input word = C00050230

Metabolite InformationStructural formula
Name Scutalbin A
(-)-Scutalbin A
Formula C22H30O7
Mw 406.19915331
CAS RN 178560-40-2
C_ID C00050230 ,
InChIKey DQDNSXZRRDXRPS-JGKCHROQNA-N
InChICode InChI=1S/C22H30O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h4-5,11,13-19,24H,6-10H2,1-3H3/t11-,13-,14-,15-,16+,17+,18-,19+,20+,21+,22+/m1/s1
SMILES [C@H]12C[C@@]3([C@]4([C@H](C1)[C@@]([C@@H](C[C@@H]4OC(=O)C)C)(C)[C@@H]1C[C@@H]4[C@@H](O1)OC=C4)[C@H](O2)O)CO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria pontica Ref.
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