input word = C00046394

Metabolite InformationStructural formula
Name Scuterulein C
(-)-Scuterulein C
Formula C30H42O11
Mw 578.27271219
CAS RN 353288-05-8
C_ID C00046394 ,
InChIKey DDPYXTKKOSMSKR-AGAAUGAYNA-N
InChICode InChI=1S/C30H42O11/c1-9-10-23(34)41-27-26(40-19(5)33)28(6)16(2)11-12-21(38-17(3)31)25(28)29(7,30(27,8)36)22(39-18(4)32)13-20-14-24(35)37-15-20/h14,21-22,25-27,36H,2,9-13,15H2,1,3-8H3/t21-,22+,25+,26+,27+,28+,29-,30+/m1/s1
SMILES C=C1CC[C@@H](OC(C)=O)[C@H]2[C@@]1(C)[C@@H](OC(C)=O)C(OC(=O)CCC)[C@](C)(O)[C@]2(C)[C@H](CC1=CC(=O)OC1)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria caerulea Ref.
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