input word = C00043626

Metabolite InformationStructural formula
Name Kansuinin A
(+)-Kansuinin A
Formula C37H46O15
Mw 730.2836708
CAS RN 57701-86-7
C_ID C00043626 ,
InChIKey VKHCUWUNVKZFBM-DOZYPNRPNA-N
InChICode InChI=1S/C37H46O15/c1-17-16-36(51-24(8)42)26(28(17)46-20(4)38)29(47-21(5)39)18(2)30(48-22(6)40)31(50-34(44)25-14-12-11-13-15-25)33(49-23(7)41)35(9,10)32-27(43)19(3)37(36,45)52-32/h11-15,17,19,26,28-33,45H,2,16H2,1,3-10H3/t17-,19+,26+,28-,29-,30-,31+,32-,33+,36+,37+/m0/s1
SMILES O1[C@]2([C@@]3([C@@H]([C@H](C(=C)[C@@H]([C@H]([C@H](C([C@@H]1C(=O)[C@H]2C)(C)C)OC(=O)C)OC(=O)c1ccccc1)OC(=O)C)OC(=O)C)[C@H]([C@H](C3)C)OC(=O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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OrganismEuphorbia kansui
ReferencePan,J.Nat.Prod.,67,(2004),1548