input word = C00050507

Metabolite InformationStructural formula
Name 17-Acetoxymulinic acid
Formula C22H32O6
Mw 392.21988875
CAS RN 131917-12-9
C_ID C00050507
InChIKey RDNDSRLZDOEQBR-ZVHHJAQSSA-N
InChICode InChI=1S/C22H32O6/c1-12(2)15-5-6-16-19-17-9-13(3)18(28-27-17)10-21(19,11-26-14(4)23)7-8-22(15,16)20(24)25/h9,12,15-19H,5-8,10-11H2,1-4H3,(H,24,25)/t15-,16+,17-,18-,19-,21+,22+/m0/s1
SMILES CC(=O)OC[C@]12CC[C@]3(OC=O)[C@H](CC[C@H]3C(C)C)[C@H]1[C@@H]1C=C(C)[C@H](C2)OO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAzorella compacta Ref.
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