input word = C00031228

Metabolite InformationStructural formula
Name Rotungenic acid
(+)-Rotungenic acid
Formula C30H48O5
Mw 488.35017464
CAS RN 121467-43-4
C_ID C00031228 ,
InChIKey YLHQFGOOMKJFLP-CUPPOTFTNA-N
InChICode InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26-,27-,28-,29-,30+/m1/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@]1(C)O)C)C(=O)O)C)C)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
PlantaeRubiaceaeMorinda officinalis Ref.
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