input word = C00033802

Metabolite InformationStructural formula
Name Effuside V
Formula C30H40O13
Mw 608.24689137
CAS RN 169238-36-2
C_ID C00033802 ,
InChIKey GWFQWASPBBNPCY-QHPVBREMNA-N
InChICode InChI=1S/C30H40O13/c1-12-15-4-5-16-13(2)19(39-3)8-14(11-40-29-27(37)25(35)23(33)20(9-31)42-29)22(16)17(15)6-7-18(12)41-30-28(38)26(36)24(34)21(10-32)43-30/h6-8,20-21,23-38H,4-5,9-11H2,1-3H3/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
SMILES c12c(CCc3c1ccc(c3C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(c(cc2CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuncaceaeJuncus effusus Ref.
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OrganismJuncus effusus
ReferenceKovacs,Phytochem.,69,(2008),1084