input word = C00003671

Metabolite InformationStructural formula
Name Schottenol
Formula C29H50O
Mw 414.38616622
CAS RN 521-03-9
C_ID C00003671 ,
InChIKey YSKVBPGQYRAUQO-YLPBZDMJNA-N
InChICode InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1C(=CC2)[C@H]2[C@](CC1)([C@H](CC2)[C@@H](CC[C@H](C(C)C)CC)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCactaceaeLophocereus schottii Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCucurbitaceaeCucumis sativus Ref.
--Cactaceae spp. Ref.
zoom in