input word = C00002978

Metabolite InformationStructural formula
Name Acrovestone
Formula C32H42O8
Mw 554.28796832
CAS RN 24177-16-0
C_ID C00002978 ,
InChIKey KLFWXYAHGSXKAW-UHFFFAOYNA-N
InChICode InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3/t22-/m1/s1
SMILES c1(c(c(c(c(c1O)[C@@H](c1c(c(c(c(c1O)CC=C(C)C)O)C(=O)C)O)CC(C)C)O)CC=C(C)C)OC)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAcronychia pedunculata Ref.
PlantaeRutaceaeAcronychia vestita Ref.
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