input word = C00000172

Metabolite InformationStructural formula
Name Absinthin
Formula C30H40O6
Mw 496.28248901
CAS RN 1362-42-1
C_ID C00000172 ,
InChIKey PZHWYURJZAPXAN-GHLDGTHUNA-N
InChICode InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24+,25-,28-,29-,30+/m0/s1
SMILES C1[C@@H]2[C@@H](C3=C([C@H]4[C@@H]([C@H]3[C@@](C1)(C)O)[C@@H]1[C@H]3[C@@]4([C@@H]4[C@@H](CC[C@@]3(O)C)[C@@H](C(=O)O4)C)C(=C1)C)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia absinthium Ref.
PlantaeAsteraceaeArtemisia caruifolia Ref.
PlantaeAsteraceaeArtemisia sieversiana Ref.
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OrganismArtemisia sieversiana
ReferenceBohlmann,Phytochem.,24,(1985),1009