input word = C00037807

Metabolite InformationStructural formula
Name Segetene A
(-)-Segetene A
Formula C17H44O14
Mw 472.27310612
CAS RN 403653-06-5
C_ID C00037807 ,
InChIKey SWSXELQHTSGROU-RHFJNPJZNA-N
InChICode InChI=1S/C37H44O14/c1-17-15-36(45)26(27(17)50-31(44)23-13-11-10-12-14-23)30(47-19(3)39)37(51-22(6)42)16-24-25(29(46-18(2)38)34(7,8)28(24)43)35(9,32(36)48-20(4)40)33(37)49-21(5)41/h10-14,17,26-27,29-30,32-33,45H,15-16H2,1-9H3/t17-,26+,27-,29-,30+,32-,33-,35?,36+,37+/m0/s1
SMILES [C@@]12([C@@H]([C@H]([C@]3([C@H]([C@@]([C@@H]1OC(=O)C)(C1=C(C3)C(=O)C([C@H]1OC(=O)C)(C)C)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H](C2)C)OC(=O)c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia paralias Ref.
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