input word =
C00003627
Metabolite Information
Structural formula
Name
Labriformin
Formula
C31H39NO10S
Mw
617.2294672
CAS RN
66419-07-6
C_ID
C00003627 ,
InChIKey
BGKAKFOJZRBENJ-ROUBSAOENA-N
InChICode
InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29-,30+,31-/m1/s1
SMILES
[C@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@]4([C@H](C3)O4)[C@@]3([C@](C(=O)[C@H]1O)([C@H](CC3)C1=CC(=O)OC1)C)O)C)O[C@H]1[C@@](O2)([C@@]2(C[C@H](O1)C)SCC=N2)O
Start Substs in Alk. Biosynthesis (Prediction)
L-Pro
L-Arg
L-Asp
Cholesterol
Organism
Kingdom
Family
Species
Reference
Plantae
Apocynaceae
Asclepias eriocarpa
Ref.
Plantae
Apocynaceae
Asclepias labriformis
Ref.
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