input word = C00050181

Metabolite InformationStructural formula
Name Pachanol B
Formula C30H44O4
Mw 468.32395989
CAS RN 172923-91-0
C_ID C00050181 ,
InChIKey NPXRQQCHKINHAI-UHFFFAOYNA-N
InChICode InChI=1S/C30H44O4/c1-17-13-30-15-23(34-25(30)33)27(4,16-31)14-19(30)18-7-8-21-28(5)12-10-22(32)26(2,3)20(28)9-11-29(21,6)24(17)18/h7-8,17,20-24,31-32H,9-16H2,1-6H3/t17-,20-,21+,22+,23+,24-,27-,28-,29-,30-/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)([C@@H]1[C@](CC2)([C@@H]2C(=C3[C@]4(C[C@@H]2C)C[C@H]([C@@](C3)(CO)C)OC4=O)C=C1)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Trichoereus pachanoi Ref.
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