input word = C00003577

Metabolite InformationStructural formula
Name Gitogenin
Formula C27H44O4
Mw 432.32395989
CAS RN 511-96-6
C_ID C00003577 ,
InChIKey FWCXELAAYFYCSR-JNPHMCKDNA-N
InChICode InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
SMILES [C@@H]1([C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]2([C@H]1C)OC[C@@H](CC2)C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave gracilipes Ref.
PlantaeAgavaceaeAgave huachucensis Ref.
PlantaeAgavaceaeAgave lechequilla Ref.
PlantaeAgavaceaeAgave mescal Ref.
PlantaeAgavaceaeAgave stricta Ref.
PlantaeAgavaceaeManfreda gigantea Ref.
PlantaeAgavaceaeManfreda virginica Ref.
PlantaeAgavaceaeYucca whipplei Ref.
PlantaeAnthericaceaeChlorophytum comosum Ref.
PlantaeDioscoreaceaeDioscorea tokoro Ref.
PlantaeFabaceaeTrigonella coerulea Ref.
PlantaeFabaceaeTrigonella foenum-graecum Ref.
PlantaePlantaginaceaeDigitalis lanata Ref.
PlantaePlantaginaceaeDigitalis purpurea Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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