input word = C00032208

Metabolite InformationStructural formula
Name Stigmasta-4,22-dien-3-one
(+)-Stigmasta-4,22-dien-3-one
Formula C29H46O
Mw 410.35486609
CAS RN 20817-72-5
C_ID C00032208 ,
InChIKey MKGZDUKUQPPHFM-LEOSSMMNNA-N
InChICode InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21+,24-,25+,26-,27-,28-,29+/m0/s1
SMILES C1C(=O)C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)[C@H](/C=C/[C@@H](CC)C(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula cappa Ref.
PlantaeCannabaceaeCannabis sativa Ref.
PlantaeCelastraceaeMicrotropis japonica Ref.
PlantaeJubulaceaeFrullania brasiliensis Ref.
PlantaePolygonaceaePolygonum viscosum Ref.
PlantaeRutaceaeZanthoxylum integrifoliolum Ref.
zoom in