input word = C00042989

Metabolite InformationStructural formula
Name Scutegalin D
Formula C27H40O8
Mw 492.27231825
CAS RN 172549-36-9
C_ID C00042989 ,
InChIKey RCMIEMHQDSMCOM-GIDUJCDVNA-N
InChICode InChI=1S/C27H40O8/c1-6-15(2)22(29)35-24-27-20(12-19(34-24)13-26(27)14-32-26)25(5,9-7-18-8-10-31-23(18)30)16(3)11-21(27)33-17(4)28/h6,16,18-21,23-24,30H,7-14H2,1-5H3/b15-6+/t16-,18+,19-,20+,21+,23+,24-,25+,26+,27+/m0/s1
SMILES C/C=C(C)C(=O)OC1OC2CC3C(C)(CCC4CCOC4O)C(C)CC(OC(C)=O)C13C1(CO1)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria columnae var. columnae Ref.
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