input word = C00053801

Metabolite InformationStructural formula
Name Stigmasta-3,5-diene
Formula C29H48
Mw 396.37560153
CAS RN 4970-37-0
C_ID C00053801
InChIKey ICCTZARHLGPHMT-BPIBQTEVSA-N
InChICode InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES [H][C@]1([C@H](C)CC[C@H](C(C)C)CC)CC[C@@]2([H])[C@]3([H])CC=C4C=CCC[C@]4(C)[C@@]3([H])CC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
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