input word = C00043817

Metabolite InformationStructural formula
Name Phorbasterone B
(-)-Phorbasterone B
Formula C28H44O4
Mw 444.32395989
CAS RN 682808-88-4
C_ID C00043817 ,
InChIKey VLOFDOVDZZTCKF-WVNYXPKLNA-N
InChICode InChI=1S/C28H44O4/c1-17(2)8-7-9-18(3)20-12-13-21-19-10-11-23-24(29)28(31,25(30)32-6)16-27(23,5)22(19)14-15-26(20,21)4/h11,17-22,31H,7-10,12-16H2,1-6H3/t18-,19+,20-,21+,22+,26-,27-,28+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](C)CCCC(C)C)C)CC=C1[C@@]2(C[C@](C1=O)(C(=O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas amaranthus Ref.
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