input word = C00050658

Metabolite InformationStructural formula
Name 21alpha-Hydroxyserrat-14-en-3beta-yl propanedioic acid monoester
Formula C33H52O5
Mw 528.38147477
CAS RN 627481-38-3
C_ID C00050658
InChIKey DZCBJPUBJLJYJM-XJQAYUDONA-N
InChICode InChI=1S/C33H52O5/c1-29(2)22-10-8-20-19-31(5)15-12-23-30(3,4)26(38-28(37)18-27(35)36)14-17-33(23,7)24(31)11-9-21(20)32(22,6)16-13-25(29)34/h8,21-26,34H,9-19H2,1-7H3,(H,35,36)/t21-,22-,23-,24-,25-,26-,31-,32+,33-/m0/s1
SMILES CC1(C)[C@@H](OC(=O)COC=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLycopodiaceaeHuperzia serrata Ref.
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