input word = C00043270

Metabolite InformationStructural formula
Name Anthosterone B
Formula C29H44O4
Mw 456.32395989
CAS RN 116368-92-4
C_ID C00043270 ,
InChIKey GSQCDJFADGTYTQ-HDFMDKPVNA-N
InChICode InChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-12-13-22-20-10-11-24-25(30)29(32,26(31)33-7)16-28(24,6)23(20)14-15-27(21,22)5/h11,17,19-23,32H,3,8-10,12-16H2,1-2,4-7H3/t19-,20+,21-,22+,23+,27-,28-,29+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@H](C)CCC(=C)C(C)C)C)CC=C1[C@@]2(C[C@@](C1=O)(O)C(=O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas amaranthus Ref.
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