input word = C00003592

Metabolite InformationStructural formula
Name Smilagenin
Isosarsasapogenin
Formula C27H44O3
Mw 416.32904527
CAS RN 126-18-1
C_ID C00003592 ,
InChIKey GMBQZIIUCVWOCD-KEOBHQKENA-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 funkiana Ref.
PlantaeAgavaceaeAgave heterocantha Ref.
PlantaeAgavaceaeAgave lechequilla Ref.
PlantaeAgavaceaeAgave lophantha Ref.
PlantaeAgavaceaeYucca aloifolia Naudin. Ref.
PlantaeAgavaceaeYucca arkansana Ref.
PlantaeAgavaceaeYucca australis Engelm. Ref.
PlantaeAgavaceaeYucca brevifolia Engelm. Ref.
PlantaeAgavaceaeYucca elephantipes Regel. Ref.
PlantaeAgavaceaeYucca filifera Ref.
PlantaeAgavaceaeYucca flaccida Ref.
PlantaeAgavaceaeYucca gloriosa Ref.
PlantaeAgavaceaeYucca jalicensis Ref.
PlantaeAgavaceaeYucca louisianensis Ref.
PlantaeAgavaceaeYucca recurvifolia Ref.
PlantaeAgavaceaeYucca reverchoni Ref.
PlantaeAgavaceaeYucca treculeana Hook. Ref.
PlantaeAnemarrhenaceaeAnemarrhena asphodeloides Ref.
PlantaeDioscoreaceaeDioscorea colletii Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
PlantaeDracaenaceaeDracaena australis Ref.
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaeSmilacaceaeSmilax ornata Ref.
--Jamaica sarsaparilla Ref.
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OrganismAgave heterocantha
ReferenceMarker,J.Am.Chem.Soc.,65,(1943),1199