input word = C00041936

Metabolite InformationStructural formula
Name Topsentisterol D3
Formula C28H42O2
Mw 410.31848058
CAS RN 918120-04-4
C_ID C00041936 ,
InChIKey UOHNARRKDSHFLD-TZMGGZKONA-N
InChICode InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18-,19+,21+,22-,23+,27+,28-/m1/s1
SMILES C1C2=C([C@H]3[C@](C1)([C@H](CC3)[C@@H](C)/C=C/[C@H](C(C)C)C)C)C(=O)C=C1[C@@]2(CC[C@@H](C1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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