input word = C00035251

Metabolite InformationStructural formula
Name Bauer-7-ene-3beta,16alpha-diol
Formula C30H50O2
Mw 442.38108084
CAS RN 214351-30-1
C_ID C00035251 ,
InChIKey RSBGODIKJNCIHA-SFXJODEWNA-N
InChICode InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19+,20+,22+,23+,24-,25-,27-,28-,29+,30-/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@H]1C)[C@]1([C@](C[C@H]2O)(C2=CC[C@@H]3[C@@]([C@H]2CC1)(CC[C@@H](C3(C)C)O)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePetasites tricholobus Ref.
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