input word = C00044309

Metabolite InformationStructural formula
Name Scutelaterin B
Formula C29H42O9
Mw 534.28288294
CAS RN 212069-16-4
C_ID C00044309 ,
InChIKey KELRNFSXNHLJGT-IBURZTDLNA-N
InChICode InChI=1S/C29H42O9/c1-7-16(2)25(32)37-21-12-22-27(6,23-11-20-8-9-33-26(20)38-23)17(3)10-24(36-19(5)31)29(22,15-34-18(4)30)28(13-21)14-35-28/h8-9,16-17,20-24,26H,7,10-15H2,1-6H3/t16-,17-,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=CO3)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