input word = C00024912

Metabolite InformationStructural formula
Name Ignavine
Formula C27H31NO5
Mw 449.22022311
CAS RN 1357-76-2
C_ID C00024912 ,
InChIKey FOIZZXKAYVIZQC-XKLVROHTNA-N
InChICode InChI=1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18+,19+,20+,21+,22-,24+,25-,26+,27-/m0/s1
SMILES C=C1[C@H]2C[C@@H]3C4N5C[C@]6(C)C7[C@@H]5CC3([C@@H]1O)[C@@](O)(C2)[C@@]47C[C@@H](OC(=O)c1ccccc1)[C@@H]6O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum calliantum Ref.
PlantaeRanunculaceaeAconitum carmichaeli Ref.
PlantaeRanunculaceaeAconitum grossedentatum Ref.
PlantaeRanunculaceaeAconitum hakusanense Nakai Ref.
PlantaeRanunculaceaeAconitum japonicum Ref.
PlantaeRanunculaceaeAconitum kamtschaticum Ref.
PlantaeRanunculaceaeAconitum lucidusculum Nakai. Ref.
PlantaeRanunculaceaeAconitum sanyoense Ref.
PlantaeRanunculaceaeAconitum senanense Nakai Ref.
PlantaeRanunculaceaeAconitum subcuneatum Nakai Ref.
PlantaeRanunculaceaeAconitum tasiromontanum Ref.
PlantaeRanunculaceaeAconitum tortuosum Ref.
PlantaeRanunculaceaeAconitum zuccarini Ref.
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OrganismAconitum zuccarini
ReferenceOchiai,Chem.Pharm.Bull.,8,(1960),976