input word = C00037086

Metabolite InformationStructural formula
Name Effusin
Formula C22H28O6
Mw 388.18858863
CAS RN 39388-60-8
C_ID C00037086 ,
InChIKey IHWMCWUEIIJTJY-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-13-15-5-6-16-21(12-28-19(26)22(16,9-15)18(13)25)8-4-7-20(3,17(21)10-23)11-27-14(2)24/h10,15-17H,1,4-9,11-12H2,2-3H3/t15-,16+,17-,20-,21-,22+/m1/s1
SMILES C1C[C@H]2C(=C)C(=O)[C@@]3([C@@H]1[C@@]1(COC3=O)[C@@H]([C@](CCC1)(COC(=O)C)C)C=O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLamiaceaeRabdosia effusa Ref.
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