input word = C00046393

Metabolite InformationStructural formula
Name Scuterulein B
(-)-Scuterulein B
Formula C33H40O11
Mw 612.25706212
CAS RN 353288-03-6
C_ID C00046393 ,
InChIKey SSMJCVGYZNGJRS-ZSXDALPZNA-N
InChICode InChI=1S/C33H40O11/c1-18-13-14-23(40-19(2)34)26-30(18,5)27(41-20(3)35)28(42-21(4)36)32(7)31(26,6)24(15-33(44-32)16-25(37)39-17-33)43-29(38)22-11-9-8-10-12-22/h8-12,23-24,26-28H,1,13-17H2,2-7H3/t23-,24+,26+,27+,28+,30+,31-,32+,33-/m1/s1
SMILES C1CC(=C)[C@]2([C@H]([C@@H]1OC(=O)C)[C@@]1([C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)(O[C@]2(C[C@@H]1OC(=O)c1ccccc1)CC(=O)OC2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria caerulea Ref.
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