input word = C00046392

Metabolite InformationStructural formula
Name Scuterulein A
(-)-Scuterulein A
Formula C30H44O10
Mw 564.29344763
CAS RN 353288-02-5
C_ID C00046392 ,
InChIKey HMKSPNGLNXJXOR-ATWSKQGZNA-N
InChICode InChI=1S/C30H44O10/c1-8-10-22(33)39-21(14-19-15-24(35)37-16-19)29(6)25-20(32)13-12-17(3)28(25,5)26(38-18(4)31)27(30(29,7)36)40-23(34)11-9-2/h15,20-21,25-27,32,36H,3,8-14,16H2,1-2,4-7H3/t20-,21+,25+,26+,27+,28+,29-,30+/m1/s1
SMILES C1(=O)OCC(=C1)C[C@@H]([C@@]1([C@H]2[C@H](O)CCC(=C)[C@@]2([C@H]([C@@H]([C@@]1(O)C)OC(=O)CCC)OC(=O)C)C)C)OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria caerulea Ref.
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OrganismScutellaria caerulea
ReferenceEsquivel,J.Nat.Prod.,64,(2001),778