input word = C00048877

Metabolite InformationStructural formula
Name Topsentiasterol sulfate F
Formula C29H48O13S3
Mw 700.22570381
CAS RN 1093958-40-7
C_ID C00048877 ,
InChIKey DSBUNAUSSHBEAJ-FRPYYMSGNA-N
InChICode InChI=1S/C29H48O13S3/c1-16(2)17(3)8-9-18(4)19-10-12-29(7)21-14-22(40-43(31,32)33)24-25(30)26(42-45(37,38)39)23(41-44(34,35)36)15-27(24,5)20(21)11-13-28(19,29)6/h11,17-19,21-26,30H,1,8-10,12-15H2,2-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t17-,18-,19-,21-,22+,23+,24+,25-,26-,27-,28-,29+/m1/s1
SMILES C=C(C)C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)C3=CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeTopsentia sp. Ref.
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