input word = C00046871

Metabolite InformationStructural formula
Name Quadrangularic acid H
(+)-Quadrangularic acid H
Formula C30H44O7
Mw 516.30870376
CAS RN 254757-93-2
C_ID C00046871 ,
InChIKey NLELKFNNSPFKBZ-CJYLQVMYNA-N
InChICode InChI=1S/C30H44O7/c1-16(2)19(31)7-6-17(24(34)35)18-10-11-27(4)20-8-9-21-28(5,25(36)37)22(32)14-23(33)30(21)15-29(20,30)13-12-26(18,27)3/h17-18,20-23,32-33H,1,6-15H2,2-5H3,(H,34,35)(H,36,37)/t17-,18-,20+,21+,22+,23+,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](CCC(=O)C(=C)C)C(=O)O)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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OrganismCombretum quadrangulare
ReferenceBanskota,J.Nat.Prod.,63,(2000),57