input word = C00063815

Metabolite InformationStructural formula
Name Hydrangenone
Formula C30H42O5
Mw 482.30322445
CAS RN 1351991-83-7
C_ID C00063815
InChIKey NLYPIHUEOMJFBW-KERNGSKHSA-N
InChICode InChI=1S/C30H42O5/c1-16(2)21-22(32)26-12-9-19-24(4,5)10-8-11-27(19)15-29(26)28(33,18(13-26)17(3)31)14-20-25(6,7)34-23(21)30(20,29)35-27/h16,18-20,33H,8-15H2,1-7H3/t18-,19-,20+,26-,27-,28+,29+,30-/m0/s1
SMILES CC(=O)C1CC23CCC4C(C)(C)CCCC45CC24C1(O)CC1C(C)(C)OC(=C(C(C)C)C3=O)C14O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia eremophila Ref.
PlantaeLabiataeSalvia hydrangea Ref.
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