input word = C00045521

Metabolite InformationStructural formula
Name 16-Hydroxybutyrospermol
Formula C30H50O2
Mw 442.38108084
CAS RN 50430-49-4
C_ID C00045521 ,
InChIKey MCOAOTHHQZUJEW-KHRPXZQNNA-N
InChICode InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)26-23(31)18-30(8)22-12-13-24-27(4,5)25(32)15-16-28(24,6)21(22)14-17-29(26,30)7/h10,12,20-21,23-26,31-32H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,25+,26-,28-,29+,30-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H]([C@H](C2)O)[C@@H](CCC=C(C)C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia dubia Ref.
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