input word = C00037588

Metabolite InformationStructural formula
Name Orthosphenic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 86632-20-4
C_ID C00037588 ,
InChIKey JPAXVSRGFJVPEU-XQZIPCPZNA-N
InChICode InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29-,30?/m1/s1
SMILES [C@@H]1([C@]2([C@@H]([C@]3([C@@H](C1)[C@]1([C@H](CC3)[C@@]3([C@@](CC1)([C@H]1[C@@](CC3)(CC[C@@](C1)(C)C(=O)O)C)C)C)C)CO2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeOrthosphenia mexicana Standley. Ref.
PlantaeCelastraceaeSalacia prinoides Ref.
PlantaeCelastraceaeTripterygium regelii Ref.
PlantaeCelastraceaeTripterygium wilfordii Hook f. Ref.
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