input word = C00044310

Metabolite InformationStructural formula
Name Scutelaterin C
Formula C29H44O10
Mw 552.29344763
CAS RN 212069-17-5
C_ID C00044310 ,
InChIKey XLKOZUPYEXVJCF-ZBUXLTNGNA-N
InChICode InChI=1S/C29H44O10/c1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h15-16,19-24,26,32H,7-14H2,1-6H3/t15-,16-,19+,20+,21-,22+,23+,24-,26-,27+,28+,29+/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[C@@H](O3)O)C[C@@H](C[C@]12OC1)OC(=O)[C@H](C)CC)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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OrganismScutellaria lateriflora
ReferenceBruno,Phytochem.,48,(1998),687