input word = C00030701

Metabolite InformationStructural formula
Name Machaeroceric acid
Formula C30H50O4
Mw 474.37091008
CAS RN 205439-95-8
C_ID C00030701 ,
InChIKey WBFQJRAHTVDUSX-ARGLSPFSNA-N
InChICode InChI=1S/C30H50O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31-32H,8-17H2,1-7H3,(H,33,34)/t18-,19+,20-,21+,22+,23+,27+,28-,29-,30+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CCC([C@H]1O)(C)C)C(=O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
zoom in