input word = C00003593

Metabolite InformationStructural formula
Name Tigogenin
Formula C27H44O3
Mw 416.32904527
CAS RN 77-60-1
C_ID C00003593 ,
InChIKey GMBQZIIUCVWOCD-CKJPXQKRNA-N
InChICode InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
PlantaeAgavaceaeAgave americana var.marginata Ref.
PlantaeAgavaceaeAgave angustifolia Ref.
PlantaeAgavaceaeAgave cantala Ref.
PlantaeAgavaceaeAgave east-one Ref.
PlantaeAgavaceaeAgave lophantha Ref.
PlantaeAgavaceaeAgave sisalana Ref.
PlantaeAgavaceaeAgave stricta Ref.
PlantaeAgavaceaeFurcraea elegans Ref.
PlantaeAgavaceaePolianthes tuberosa Ref.
PlantaeAgavaceaeYucca filifera Ref.
PlantaeAgavaceaeYucca whipplei Ref.
PlantaeAlliaceaeAllium albanum Ref.
PlantaeAlliaceaeAllium rubellum Ref.
PlantaeAnthericaceaeChlorophytum arundinaceum Ref.
PlantaeAnthericaceaeChlorophytum comosum Ref.
PlantaeCostaceaeCostus speciosus Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaeHyacinthaceaeChlorogalum pomeridianum Ref.
PlantaeLabiataeSalvia mitorrhiza Ref.
PlantaeLomandraceaeCordyline strcta Ref.
PlantaePlantaginaceaeDigitalis lanata Ref.
PlantaePlantaginaceaeDigitalis purpurea L. Ref.
PlantaeSmilacaceaeSmilax sieboldii Ref.
PlantaeSolanaceaeSolanum dulcamara Ref.
PlantaeSolanaceaeSolanum melongena Ref.
PlantaeSolanaceaeSolanum nigrum Ref.
PlantaeSolanaceaeSolanum paniculatum Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
--Maguey canon de abra Ref.
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OrganismFurcraea elegans
ReferenceDixit,Indian J.Chem.,15B,(1977),582