input word = C00046874

Metabolite InformationStructural formula
Name Quadrangularic acid M
(+)-Quadrangularic acid M
Formula C30H48O5
Mw 488.35017464
CAS RN 254757-97-6
C_ID C00046874 ,
InChIKey ANUPVXRMSNOEBS-MFTKKRTHNA-N
InChICode InChI=1S/C30H48O5/c1-17(2)20(31)8-7-18(3)19-11-12-27(5)21-9-10-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)14-13-26(19,27)4/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19-,20-,21+,22+,23+,24+,26-,27+,28+,29+,30-/m1/s1
SMILES C1[C@@H]([C@]([C@H]2[C@]3([C@H]1O)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](CC[C@H](C(=C)C)O)C)C)C)C3)(C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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