input word = C00057159

Metabolite InformationStructural formula
Name Phytosulfokine beta
Formula C28H38N4O14S2
Mw 718.18259341
CAS RN 179667-63-1
C_ID C00057159
InChIKey GOHLMBHZKWPJQG-NZUMNYOTSA-N
InChICode InChI=1S/C28H38N4O14S2/c1-4-15(2)23(31-25(34)21(29)13-17-5-9-19(10-6-17)45-47(39,40)41)27(36)30-22(26(35)32-24(16(3)33)28(37)38)14-18-7-11-20(12-8-18)46-48(42,43)44/h5-12,15-16,21-24,33H,4,13-14,29H2,1-3H3,(H,30,36)(H,31,34)(H,32,35)(H,37,38)(H,39,40,41)(H,42,43,44)/t15-,16+,21-,22-,23-,24-/m0/s1
SMILES CC[C@@H]([C@H](NC([C@@H](N)CC1=CC=C(OS(O)(=O)=O)C=C1)=O)C(N[C@H](C(N[C@H](C(O)=O)[C@H](O)C)=O)CC2=CC=C(OS(O)(=O)=O)C=C2)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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