input word = C00031394

Metabolite InformationStructural formula
Name Stigmast 4-ene 3,6-dione
(-)-Stigmast 4-ene 3,6-dione
Formula C29H46O2
Mw 426.34978071
CAS RN 23670-94-2
C_ID C00031394 ,
InChIKey UVFOCYGYACXLAY-WXPPRHLYNA-N
InChICode InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2=O)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@H](C(C)C)CC)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus ebulus L. Ref.
PlantaeAristolochiaceaeAristolochia heterophylla Hemsl Ref.
PlantaeAsteraceaeLigularia dentata Hara Ref.
PlantaeCelastraceaeEuonymus alatus Ref.
PlantaeEbenaceaeDiospyros eriantha Ref.
PlantaeFabaceaeClitoria ternata Ref.
PlantaeFabaceaeGleditsia sinensis LAM. Ref.
PlantaeMelastomataceaeMiconia trailii Ref.
PlantaePoaceaePhyllostachys edulis Ref.
PlantaePolygonaceaePolygonum chinensis L. Ref.
PlantaeRutaceaeDictamnus angustifolius Ref.
--Chorisia insignis Ref.
--Chorisia speciosa Ref.
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