input word = C00020969

Metabolite InformationStructural formula
Name Anabsinthin
Formula C30H40O6
Mw 496.28248901
CAS RN 6903-12-4
C_ID C00020969 ,
InChIKey XDKZYFZYOVAAKJ-LJUCPJGMNA-N
InChICode InChI=1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,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]1C[C@]3([C@@]54[C@@H]1[C@](CC[C@@H]1[C@@H]5OC(=O)[C@H]1C)(O3)C)C)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia absinthium Ref.
PlantaeAsteraceaeArtemisia caruifolia Ref.
PlantaeThymelaeaceaeDaphne oleoides Ref.
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