input word = C00040129

Metabolite InformationStructural formula
Name Quadranoside III
(+)-Quadranoside III
Formula C36H58O11
Mw 666.3979127
CAS RN 267001-54-7
C_ID C00040129 ,
InChIKey NIKVJBIXIZLKKT-DBDZBDRRNA-N
InChICode InChI=1S/C36H58O11/c1-18-25(41)26(42)27(43)29(46-18)47-30(45)36-12-11-31(2,16-37)13-20(36)19-7-8-23-32(3)14-21(39)28(44)33(4,17-38)22(32)9-10-34(23,5)35(19,6)15-24(36)40/h7,18,20-29,37-44H,8-17H2,1-6H3/t18-,20+,21-,22-,23-,24-,25+,26+,27-,28+,29+,31-,32+,33+,34-,35-,36-/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CC[C@@](C1)(C)CO)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)C)C)C)C)(C)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
PlantaeLabiataeMelissa officinalis Ref.
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