input word = C00062243

Metabolite InformationStructural formula
Name (3beta)-Stigmasta-5,8-dien-3-ol
Formula C29H48O
Mw 412.37051615
CAS RN 570-72-9
C_ID C00062243
InChIKey ODKQKCINTCFCGY-SARQZZSRSA-N
InChICode InChI=1S/C29H48O/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/h10,19-21,23,25-26,30H,7-9,11-18H2,1-6H3/t20?,21?,23?,25?,26?,28-,29+/m0/s1;InChI=1S/C29H48O/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/h10,19-21,23,25-26,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,25-,26+,28+,29-/m1/s1;InChI=1S/C29H48O/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/h10,19-21,23,25-26,30H,7-9,11-18H2,1-6H3/t20-,21-,23?,25-,26+,28+,29-/m1/s1;InChI=1S/C29H48O/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/h10,19-21,23,25-26,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,25-,26?,28+,29-/m1/s1;InChI=1S/C29H48O/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/h10,19-21,23,25-26,30H,7-9,11-18H2,1-6H3
SMILES CCC(CCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1=CC3)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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