input word = C00003727

Metabolite InformationStructural formula
Name Rutaevin
Formula C26H30O9
Mw 486.18898256
CAS RN 33237-37-5
C_ID C00003727 ,
InChIKey YZMKFMIZNSOPSN-UFDQEWECNA-N
InChICode InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1
SMILES CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@]2(C)[C@@H](O)C(=O)[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBoronella koniambiensis Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeRutaceaeEuodia rutaecarpa Benth Ref.
PlantaeRutaceaeEvodia rutaecarpa Ref.
PlantaeRutaceaePhellodendron amurense Ref.
--Calodendrum capense Ref.
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