input word = C00002400

Metabolite InformationStructural formula
Name Lithospermic acid
Lithosperminc acid
Formula C27H22O12
Mw 538.11112617
CAS RN 28831-65-4
C_ID C00002400 ,
InChIKey UJZQBMQZMKFSRV-ARDNYSISNA-N
InChICode InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23-,24+/m1/s1
SMILES c12c(c(ccc1O)/C=C/C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)[C@H]([C@@H](O2)c1ccc(c(c1)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeAnchusa officinalis Ref.
PlantaeBoraginaceaeEchium vulgare Ref.
PlantaeBoraginaceaeLithospermum officinalis Ref.
PlantaeBoraginaceaeLithospermum ruderale Ref.
PlantaeBoraginaceaeSymphytum officinale Ref.
PlantaeFagaceaeLithocarpus officinale Ref.
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
PlantaeLabiataeLycopus europaeus Ref.
PlantaeLabiataeLycopus virginicus Ref.
PlantaeLabiataeMelissa officinalis Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataeSalvia cavaleriei Ref.
PlantaeLabiataeSalvia chinensis Ref.
PlantaeLabiataeSalvia sonchifolia Ref.
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