input word = C00002242

Metabolite InformationStructural formula
Name Chaconine
alpha-Chaconine
Formula C45H73NO14
Mw 851.50310605
CAS RN 20562-03-2
C_ID C00002242 ,
InChIKey TYNQWWGVEGFKRU-QZXBUNNKNA-N
InChICode InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1CO)O[C@@H]1CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@@H]1N2C[C@H](CC1)C)C)C)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum stenophyllum Ref.
PlantaeSolanaceaeSolanum acaule Ref.
PlantaeSolanaceaeSolanum bulbocastanum Ref.
PlantaeSolanaceaeSolanum canasense Ref.
PlantaeSolanaceaeSolanum chacoense Ref.
PlantaeSolanaceaeSolanum commersonii Ref.
PlantaeSolanaceaeSolanum dulcamara Ref.
PlantaeSolanaceaeSolanum fendleri Ref.
PlantaeSolanaceaeSolanum hougasii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum multidissectum Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
PlantaeSolanaceaeSolanum phureja Ref.
PlantaeSolanaceaeSolanum pinnacritisectum Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeSolanaceaeSolanum stoloniferum Ref.
PlantaeSolanaceaeSolanum tarijense Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
--Notholiron hyacinthinum Ref.
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OrganismSolanum tuberosum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter29