input word = C00036681

Metabolite InformationStructural formula
Name Acrenol
Formula C20H28O6
Mw 364.18858863
CAS RN 64180-73-0
C_ID C00036681 ,
InChIKey BJKABQHWJXSLHE-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O6/c1-17(14(22)9-21)4-3-12-11(8-17)7-13-15-18(2,16(23)26-13)20(24)6-5-19(12,15)10-25-20/h7,12-15,21-22,24H,3-6,8-10H2,1-2H3/t12-,13+,14-,15+,17-,18+,19-,20-/m1/s1
SMILES C1[C@](CC2=C[C@H]3[C@@H]4[C@]5([C@@H]2C1)CC[C@@]([C@@]4(C(=O)O3)C)(O)OC5)([C@H](O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIcacinaceaeHumirianthera ampla Ref.
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