input word = C00030505

Metabolite InformationStructural formula
Name Hyptadienic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 128397-09-1
C_ID C00030505 ,
InChIKey YFLYOZWZPSYMPX-PJUAPIFXNA-N
InChICode InChI=1S/C30H46O4/c1-18-10-13-30(24(32)33)15-14-26(4)20(23(30)29(18,7)34)8-9-22-27(26,5)12-11-21-25(2,3)16-19(17-31)28(21,22)6/h8,16,18,21-23,31,34H,9-15,17H2,1-7H3,(H,32,33)/t18-,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(CO)=CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
zoom in