input word = C00003525

Metabolite InformationStructural formula
Name Gypsogenin
Formula C30H46O4
Mw 470.33960996
CAS RN 639-14-5
C_ID C00003525 ,
InChIKey QMHCWDVPABYZMC-VHARFRNGNA-N
InChICode InChI=1S/C30H46O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,18,20-23,32H,8-17H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeAgrostemma githago Ref.
PlantaeCaryophyllaceaeGypsophila pacifica Ref.
PlantaeCaryophyllaceaeGypsophila spp. Ref.
PlantaeCucurbitaceaeLuffa operculata Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeSwartzia spp. Ref.
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OrganismLuffa operculata
ReferenceMors,Phytochem.,55,(2000),627